4-Aminobenzylamine

C7H10N2CAS 4403-71-8122.17 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C7H10N2
Molar mass
122.17 g/mol
Exact mass
122.0844 Da
Melting point
64 °C
Boiling point
142–143 °C (at 10 Torr)
logP
0.73Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 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
4403-71-8
SMILES
NCc1ccc(N)cc1
InChIKey
BFWYZZPDZZGSLJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2

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Names and synonyms

7 names
  • Benzenemethanamine, 4-amino-
  • Toluene-α,4-diamine
  • 4-Aminobenzenemethanamine
  • p-Aminobenzylamine
  • p-(Aminomethyl)aniline
  • 4-(Aminomethyl)aniline
  • 4-Aminomethylphenylamine

Work with 4-Aminobenzylamine

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

P-Xylylenediamine539-48-071 % similar 4,4′-Ethylenedianiline621-95-463 % similar 4,4′-Methylenedianiline101-77-960 % similar 2-(4-Aminophenyl)ethylamine13472-00-959 % similar P-Phenylenediamine106-50-353 % similar Benzylamine100-46-952 % similar 4-Methylbenzylamine104-84-752 % similar 4-Chlorobenzylamine104-86-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dimethylpyridin-3-amine1073-21-8 4-Dimethylaminopyridine1122-58-3 4,6-Dimethyl-3-pyridinamine1193-71-1 4-Pyridineethanamine13258-63-4 2-Ethyl-5-methylpyrazine13360-64-0 2,3,5-Trimethylpyrazine14667-55-1 3-Methyl-2-pyridinemethanamine153936-26-6 2-Ethyl-3-methylpyrazine15707-23-0

Elsewhere

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