N-Butylbenzylamine

C₁₁H₁₇NCAS 2403-22-7163.26 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
Melting point: 54–56 °C
Boiling point: 87–89 °C
logP: 2.58Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage13.3% of notifiers
H315 Causes skin irritation86.7% of notifiers
H319 Causes serious eye irritation86.7% of notifiers
H335 May cause respiratory irritation86.7% of notifiers

Aggregated from 45 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

2403-22-7

SMILES

CCCCNCc1ccccc1

InChIKey

HIPXPABRMMYVQD-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenemethanamine, N-butyl-
Benzylamine, N-butyl-
N-Butylbenzenemethanamine
N-Benzylbutylamine
Benzylbutylamine
Butylbenzylamine
N-Benzyl-1-butanamine
N-Benzyl-N-butylamine
N-Benzyl-1-butylamine
NSC 15681
NSC 32386

Work with N-Butylbenzylamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzathine140-28-364 % similar N-Benzyl-1,3-propanediamine13910-48-060 % similar 3-(Benzylamino)propanol4720-29-060 % similar Benzylphenethylamine3647-71-059 % similar n-Butylbenzene104-51-858 % similar Ethylbenzylamine14321-27-857 % similar Dibenzylamine103-49-156 % similar Pentylbenzene538-68-156 % similar

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

Same formula

2-Hexylpyridine1129-69-7 N,N,2,4,6-Pentamethylbenzenamine13021-15-3 2,6-Diethyl-4-methylbenzenamine24544-08-9 4-Pentylaniline33228-44-3 N-(1,1-Dimethylethyl)benzenemethanamine3378-72-1 4-(1,1-Dimethylethyl)benzenemethanamine39895-55-1 4-N-Butylbenzylamine57802-79-6 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

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