Structure & Deep Data of (S)-(-)-1-Phenylethylamine (C8H11N)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The (S)-(-)-1-Phenylethylamine molecule contains a total of 20 bond(s). There are 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 primary amine(s) (aliphatic). Images of the chemical structure of (S)-(-)-1-Phenylethylamine are given below:

The 2D chemical structure image of (S)-(-)-1-Phenylethylamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of (S)-(-)-1-Phenylethylamine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of (S)-(-)-1-Phenylethylamine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of (S)-(-)-1-Phenylethylamine. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying (S)-(-)-1-Phenylethylamine Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of (S)-(-)-1-Phenylethylamine

  The SMILES string of (S)-(-)-1-Phenylethylamine is CC(N)c1ccccc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the (S)-(-)-1-Phenylethylamine.

• Structure Data File (SDF/MOL File) of (S)-(-)-1-Phenylethylamine

  The structure data file (SDF/MOL File) of (S)-(-)-1-Phenylethylamine is available for download in the SDF page of (S)-(-)-1-Phenylethylamine, which provides the information about the atoms, bonds, connectivity and coordinates of (S)-(-)-1-Phenylethylamine. The (S)-(-)-1-Phenylethylamine structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of (S)-(-)-1-Phenylethylamine

  The molecular formula of (S)-(-)-1-Phenylethylamine is available in chemical formula page of (S)-(-)-1-Phenylethylamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of (S)-(-)-1-Phenylethylamine

  The molecular weight of (S)-(-)-1-Phenylethylamine is available in molecular weight page of (S)-(-)-1-Phenylethylamine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of (S)-(-)-1-Phenylethylamine

  The (S)-(-)-1-Phenylethylamine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of (S)-(-)-1-Phenylethylamine including the various registry numbers, if available:

  • C-00802
  • BBV-37208843
  • AR-1A1403
  • KST-1A0222
  • 98B
  • 137577-63-0
  • (S)-(-)-alpha-Methylbenzylamine, purum, >=98.0% (sum of enantiomers, GC)
  • (S)-(-)-alpha-Methylbenzylamine, for chiral derivatization, >=99.0%
  • (S)-(-)-alpha-Methylbenzylamine, ChiPros(R), produced by BASF, >=99.0%
  • F0001-2350

  • (S)-(-)-1-Phenylethylamine, 99%, ee 99+% 5g
  • J-505090
  • M-5951
  • EN300-67316
  • P0793
  • 05780F90V3
  • (S)(-) - 1 - PHENYLETHYLAMINE
  • (S)-(-)-alpha-Methylbenzylamine, 98%
  • (-)-(S)-alpha-methyl-benzenemethanamine
  • RTR-007733

  • BDBM50028638
  • ANW-75666
  • (S)-(-)-alpha-methyl-benzyl amine
  • (S)-(-)-alpha-methyl benzyl amine
  • (S)-(-)-alpha methyl benzyl amine
  • (S)-(-)-alpha-methyl benzylamine
  • (S)-(+)-alpha-methylbenzylamine
  • (-)-(S)-alpha-methylbenzylamine
  • L-(-)-alpha-Methylbenzylamine|
  • (S)-(-)-alpha-methylbenzylamin

  • (S)-(-)-|A-Methylbenzylamine
  • (S)-(-)-a-methyl-benzylamine
  • (S)-(-)-1-phenyl-ethylamine
  • (S)(-)-alpha-methylbenzylamine
  • Jsp005170
  • (S)-alpha methyl benzyl amine
  • (S)-(-)-a-methylbenzylamine
  • (S)-(-)-1-phenylethanamine
  • [(1S)-1-phenylethyl]amine
  • (S)-alpha-methyl-benzylamine

  • (S)-alpha-methyl benzylamine
  • (S)-1-(phenyl)-ethylamine
  • (S)-(-)1-phenylethylamine
  • (1S)-alpha-phenylethanamine
  • (S)-1-(phenyl)ethylamine
  • (1S)-1-phenyl-ethylamine
  • (1 S)-1-phenylethanamine
  • S(-)-|A-phenylethylamine
  • (S)-alpha-phenylethanamine
  • Benzenemethanamine, alpha-methyl-, (alphaS)-

  • (S)-1-phenylethyl-amine
  • (S)-1-phenyl-ethylamine
  • (1S)-1-phenylethylamine
  • (S)-|A-phenylethylamine
  • (S)1-Phenyl-Ethylamine
  • (-)-|A-phenethylamine
  • 1-(S)-phenylethylamine
  • (S)-1 phenylethylamine
  • (S) -1phenylethylamine
  • L-alpha-Phenylethylamine

  • 1(S)-phenylethylamine
  • (S)-1phenylethylamine
  • (1S)-(-)-1-Phenylethylamine
  • (S)-alpha-Methylbenzylamine
  • MFCD00064406
  • s-(-)-alpha-phenylethylamine
  • (alphaS)-alpha-methylbenzenemethanamine
  • S-Alfa-Methylbenzylamine
  • (s)-(-)-1-methylbenzylamine
  • L-(-)-alpha-Phenylethylamine

  • L-(-)-1-Phenylethylamine
  • (-)-alpha-Phenethylamine
  • L-1-Phenylethylamine
  • (S)-alpha-Methylbenzenemethanamine
  • (S)-1-Phenylethylamine
  • L(-)-alpha-Methylbenzylamine
  • L-alpha-Methylbenzylamine
  • (1S)-1-phenylethanamine
  • (S)-(-)-alpha-Methylbenzylamine
  • (S)-1-phenylethanamine

  • (S)-(-)-1-Phenylethylamine
  • 2627-86-3

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(S)-(-)-1-Phenylethylamine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of (S)-(-)-1-Phenylethylamine?
C8H11N
How many atoms and what are the elements included the (S)-(-)-1-Phenylethylamine molecule?
20 atom(s) - 11 Hydrogen atom(s), 8 Carbon atom(s), and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the (S)-(-)-1-Phenylethylamine structure?
20 bond(s) - 9 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), and 1 primary amine(s) (aliphatic)
What’s the (S)-(-)-1-Phenylethylamine’s molecular weight?
121.17964 g/mol
What’s the SMILES code of (S)-(-)-1-Phenylethylamine?
CC(N)c1ccccc1
What’s the InChI string of (S)-(-)-1-Phenylethylamine?
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1
What’s the InChIKey code of (S)-(-)-1-Phenylethylamine?
RQEUFEKYXDPUSK-ZETCQYMHSA-N

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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).