chempirical

N-Phenylethylenediamine

C8H12N2CAS 1664-40-0136.20 g/mol

Open in Covalent MOL file
H2NHN
Primary amineSecondary amine

Properties

Molecular formula
C8H12N2
Molar mass
136.20 g/mol
Exact mass
136.1000 Da
Melting point
183–186 °C
Boiling point
134–137 °C (at 10 Torr)
logP
1.06Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
1664-40-0
SMILES
NCCNc1ccccc1
InChIKey
OCIDXARMXNJACB-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c9-6-7-10-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2

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Names and synonyms

13 names · show all
  • 1,2-Ethanediamine, N1-phenyl-
  • Ethylenediamine, N-phenyl-
  • 1,2-Ethanediamine, N-phenyl-
  • N1-Phenyl-1,2-ethanediamine
  • Benzenamine, N-(2-aminoethyl)-
  • N-Phenyl-1,2-ethanediamine
  • 2-(Phenylamino)ethylamine
  • N-Phenyl-1,2-ethylenediamine
  • N-(2-Aminoethyl)-N-phenylamine
  • NSC 84247
  • (2-Anilinoethyl)amine
  • N-Phenyl-1,2-diaminoethane
  • N1-Phenylethane-1,2-diamine

Work with N-Phenylethylenediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N′-Diphenylethylenediamine150-61-867 % similar N-(2-Hydroxyethyl)aniline122-98-556 % similar Propylaniline622-80-054 % similar 3-(Phenylamino)propanenitrile1075-76-950 % similar N-Butylaniline1126-78-950 % similar N-Benzylethylenediamine4152-09-450 % similar Benzylaniline103-32-246 % similar N-Ethylaniline103-69-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Tetramethylpyrazine1124-11-4 2,5-Diethylpyrazine13238-84-1 2-(4-Aminophenyl)ethylamine13472-00-9 2-Ethyl-3,5-dimethylpyrazine13925-07-0 M-Xylylenediamine1477-55-0 2,3-Diethylpyrazine15707-24-1 2,3-Dimethyl-5-ethylpyrazine15707-34-3 2-Methyl-3-propylpyrazine15986-80-8

Elsewhere

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