Structure & Deep Data of Tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate (C15H24N2O2)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate molecule contains a total of 43 bond(s). There are 19 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 primary amine(s) (aromatic), and 1 tertiary amine(s) (aromatic). Images of the chemical structure of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate are given below:

The 2D chemical structure image of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate 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 tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate 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 tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate

  The SMILES string of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate is CN(CCCC(=O)OC(C)(C)C)c1ccc(N)cc1, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate.

• Structure Data File (SDF/MOL File) of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate

  The structure data file (SDF/MOL File) of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate is available for download in the SDF page of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate, which provides the information about the atoms, bonds, connectivity and coordinates of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate. The tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate

  The molecular formula of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate is available in chemical formula page of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate

  The molecular weight of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate is available in molecular weight page of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate, 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 tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate

  The tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate including the various registry numbers, if available:

  
  
  None available.

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Tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate?
C15H24N2O2
How many atoms and what are the elements included the tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate molecule?
43 atom(s) - 24 Hydrogen atom(s), 15 Carbon atom(s), 2 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate structure?
43 bond(s) - 19 non-H bond(s), 7 multiple bond(s), 7 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 ester(s) (aliphatic), 1 primary amine(s) (aromatic), and 1 tertiary amine(s) (aromatic)
What’s the tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate’s molecular weight?
264.36326 g/mol
What’s the SMILES code of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate?
CN(CCCC(=O)OC(C)(C)C)c1ccc(N)cc1
What’s the InChI string of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate?
InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)6-5-11-17(4)13-9-7-12(16)8-10-13/h7-10H,5-6,11,16H2,1-4H3
What’s the InChIKey code of tert-butyl 4-[(4-aminophenyl)(methyl)amino]butanoate?
YVEYEVCXTSCMOW-UHFFFAOYSA-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).