N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine

C₁₁H₁₈N₂CAS 103-55-9178.28 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₈N₂
Molar mass: 178.28 g/mol
Exact mass: 178.1470 Da
Boiling point: 128–132 °C (at 18 Torr)
logP: 1.34Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage11.6% of notifiers
H315 Causes skin irritation88.4% of notifiers
H319 Causes serious eye irritation88.4% of notifiers
H335 May cause respiratory irritation88.4% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

103-55-9

SMILES

CN(C)CCNCc1ccccc1

InChIKey

LLSJAFHDYCTFCM-UHFFFAOYSA-N

InChI

InChI=1S/C11H18N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3

Weigh it out

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

Names and synonyms

15 names · show all

1,2-Ethanediamine, N1,N1-dimethyl-N2-(phenylmethyl)-
Ethylenediamine, N′-benzyl-N,N-dimethyl-
1,2-Ethanediamine, N,N-dimethyl-N′-(phenylmethyl)-
N′-Benzyl-N,N-dimethylethylenediamine
N,N-Dimethyl-N′-benzylethylenediamine
Benzyl[2-(dimethylamino)ethyl]amine
N-Benzyl-N′,N′-dimethylethylenediamine
NSC 111162
NSC 118969
2-Benzylaminoethyldimethylamine
N-Benzyl-N-(2-dimethylaminoethyl)amine
N′-Benzyl-N,N-dimethylethane-1,2-diamine
N,N-Dimethyl-N′-benzyl-1,2-diaminoethane
N,N-Dimethyl-N′-phenylmethyl-1,2-ethanediamine
N-Benzyl-N′,N′-dimethylethane-1,2-diamine

Work with N1,N1-Dimethyl-N2-(phenylmethyl)-1,2-ethanediamine

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

Benzathine140-28-362 % similar Benzylphenethylamine3647-71-057 % similar Dibenzylamine103-49-154 % similar Benzylethanolamine104-63-253 % similar N-Butylbenzylamine2403-22-753 % similar N,N-Dimethylphenethylamine hydrochloride10275-21-552 % similar N-Benzylethylenediamine4152-09-452 % similar Ethylbenzylamine14321-27-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Aminomethyl)-N,N-diethylaniline334009-12-0

Elsewhere

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