chempirical

3-Aminobenzylamine

C7H10N2CAS 4403-70-7122.17 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
logP
0.73Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
4403-70-7
SMILES
NCc1cccc(N)c1
InChIKey
ZDBWYUOUYNQZBM-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,5,8-9H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenemethanamine, 3-amino-
  • Toluene-α,3-diamine
  • 3-Aminobenzenemethanamine
  • m-Aminobenzylamine
  • 3-Aminomethylphenylamine
  • 3-(Aminomethyl)aniline

Work with 3-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

M-Xylylenediamine1477-55-068 % similar 3-Aminobenzyl alcohol1877-77-659 % similar 3-Ethylaniline587-02-059 % similar 3-Fluorobenzylamine100-82-356 % similar 3-Chlorobenzylamine4152-90-356 % similar M-Phenylenediamine108-45-255 % similar 3-Methylbenzylamine100-81-254 % similar 3-Bromobenzylamine10269-01-954 % 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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