SDF/Mol File of 4-Amino-N,N-diethylaniline (C10H16N2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 4-Amino-N,N-diethylaniline Molecule

• Chemical structure of 4-Amino-N,N-diethylaniline

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 4-Amino-N,N-diethylaniline is available in chemical structure page of 4-Amino-N,N-diethylaniline, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 4-Amino-N,N-diethylaniline

  The molecular weight of 4-Amino-N,N-diethylaniline is available in molecular weight page of 4-Amino-N,N-diethylaniline, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 4-Amino-N,N-diethylaniline

  The chemical formula of 4-Amino-N,N-diethylaniline is given in chemical formula page of 4-Amino-N,N-diethylaniline, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 4-Amino-N,N-diethylaniline

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 4-Amino-N,N-diethylaniline is:

  InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3

  It can provide a standard way to encode the molecular information of 4-Amino-N,N-diethylaniline to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 4-Amino-N,N-diethylaniline is:

  InChIKey=QNGVNLMMEQUVQK-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 4-Amino-N,N-diethylaniline, but it needs to be linked to the full InChI to get back to the original structure of the 4-Amino-N,N-diethylaniline since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 4-Amino-N,N-diethylaniline

  The 4-Amino-N,N-diethylaniline compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 4-Amino-N,N-diethylaniline including the registry numbers are listed below, if available:

  • C-04529
  • EN300-33900
  • BBV-32653021
  • AR-1F6859
  • N,N-Diethyl-1,4-phenylenediamine;N,N-Diethyl-p-phenylenediamine
  • F0001-2236
  • W-100259
  • I01-1779
  • T8295
  • D0518

  • 16713-15-8 (unspecified hydrochloride)
  • M713
  • 62637-92-7 (oxalate[2:1])
  • 6283-63-2 (sulfate[1:1])
  • CAS-93-05-0
  • RTC-060022
  • N,N-Diethyl-p-phenylenediamine, 97%
  • MFCD00007861
  • ANW-39976
  • 6065-27-6 (unspecified sulfate)

  • 2198-58-5 (mono-hydrochloride)
  • N,N-Diethyl-benzene-1,4-diamine
  • N,N-diethyl-1,4-diamino-benzene
  • BDBM89017
  • n,n-diethyl-p-phenylenediaminee
  • (4-aminophenyl)-diethyl-amine
  • p-Phenylenediamine,N-diethyl-
  • N,N-diethyl-p-phenylendiamine
  • 4-(N,N-diethylamino)aniline
  • N,N-diethyl-phenylenediamine

  • 0QQA4DFV2J
  • 4-diethylaminoaniline
  • p-Diethylaminoaniline
  • (4-aminophenyl)diethylamine
  • 4-N,4-N-diethylbenzene-1,4-diamine
  • 4-Amino-N,N-diethylaniline, dist.
  • N4,N4-diethylbenzene-1,4-diamine
  • 1,4-Benzenediamine, N1,N1-diethyl-
  • N,N-Diethyl-para-phenylenediamine
  • N,N-Diethyl 4-phenylenediamine

  • para-Aminodiethylaniline
  • 1,4-Benzenediamine, N,N-diethyl-
  • Diethyl-para-phenylenediamine
  • p-Phenylenediamine, N,N-diethyl-
  • N,N-Diethyl-4-aminoaniline
  • N,N-Diethyl-1,4-benzenediamine
  • N,N-diethylbenzene-1,4-diamine
  • Diethyl-p-phenylenediamine
  • p-(Diethylamino)aniline
  • Diethylaminoaniline

  • p-Amino-N,N-diethylaniline
  • 4-(Diethylamino)aniline
  • p-Aminodiethylaniline
  • N1,N1-Diethylbenzene-1,4-diamine
  • N,N-Diethyl-1,4-phenylenediamine
  • N,N-DIETHYL-P-PHENYLENEDIAMINE
  • 4-Amino-N,N-diethylaniline
  • 93-05-0

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4-Amino-N,N-diethylaniline Identification Summary Frequently Asked Questions (FAQs)

What’s the 4-Amino-N,N-diethylaniline formula?
C10H16N2
How many atoms and what elements are included in the 4-Amino-N,N-diethylaniline molecule?
28 atom(s) - 16 Hydrogen atom(s), 10 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 4-Amino-N,N-diethylaniline structure?
28 bond(s) - 12 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s), 1 six-membered ring(s), 1 primary amine(s) (aromatic), and 1 tertiary amine(s) (aromatic)
What’s the 4-Amino-N,N-diethylaniline’s molar mass?
164.24744 g/mol
What’s the SMILES structure of 4-Amino-N,N-diethylaniline?
CCN(CC)c1ccc(N)cc1
What’s the InChI code of 4-Amino-N,N-diethylaniline?
InChI=1S/C10H16N2/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
What’s the InChIKey format of 4-Amino-N,N-diethylaniline?
QNGVNLMMEQUVQK-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).