N-Benzylethylenediamine

C₉H₁₄N₂CAS 4152-09-4150.22 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₉H₁₄N₂
Molar mass: 150.22 g/mol
Exact mass: 150.1157 Da
Boiling point: 100 °C (at 4 Torr)
logP: 0.73Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed60.8% of notifiers
H314 Causes severe skin burns and eye damage99.4% of notifiers
H317 May cause an allergic skin reaction73.3% of notifiers
H318 Causes serious eye damage61.9% of notifiers
H412 Harmful to aquatic life with long lasting effects60.8% of notifiers

Aggregated from 176 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

4152-09-4

SMILES

NCCNCc1ccccc1

InChIKey

ACYBVNYNIZTUIL-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2

Weigh it out

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

Names and synonyms

13 names · show all

1,2-Ethanediamine, N1-(phenylmethyl)-
Ethylenediamine, N-benzyl-
1,2-Ethanediamine, N-(phenylmethyl)-
N1-(Phenylmethyl)-1,2-ethanediamine
N-Benzyl-1,2-ethanediamine
N-Benzyl-1,2-diaminoethane
N-Benzylethanediamine
N-(Phenylmethyl)-1,2-ethanediamine
1-Amino-2-(N-benzylamino)ethane
N-Benzyl-1,2-ethylenediamine
NSC 18480
2-(Benzylamino)ethylamine
(2-Aminoethyl)(benzyl)amine

Work with N-Benzylethylenediamine

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-Benzyl-1,3-propanediamine13910-48-077 % similar Benzathine140-28-370 % similar Benzylphenethylamine3647-71-064 % similar Dibenzylamine103-49-161 % similar Benzylethanolamine104-63-259 % similar N-Butylbenzylamine2403-22-753 % similar 3-(Benzylamino)propanol4720-29-053 % similar Benzeneethanamine64-04-052 % similar

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

Same formula

2-Isobutyl-3-methylpyrazine13925-06-9 Nonanedinitrile1675-69-0 2-Isopropyl-4-methylpyridin-3-amine1698293-93-4 2,3-Diethyl-5-methylpyrazine18138-04-0 4-Dimethylaminobenzylamine19293-58-4 2,4,6-Trimethyl-1,3-phenylenediamine3102-70-3 3-(Dimethylamino)benzenemethanamine57678-46-3 1-(4-Isopropylphenyl)hydrazine63693-65-2

Elsewhere

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