4-N-Butylbenzylamine

C₁₁H₁₇NCAS 57802-79-6163.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₇N
Molar mass: 163.26 g/mol
Exact mass: 163.1361 Da
logP: 2.49Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 4 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

57802-79-6

SMILES

CCCCC1=CC=C(C=C1)CN

InChIKey

IBVGSPOHLFKLHM-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9,12H2,1H3

Weigh it out

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

Names and synonyms

1 names

4-Butylbenzylamine

Work with 4-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Butylaniline104-13-262 % similar n-Butylbenzene104-51-858 % similar P-Xylylenediamine539-48-057 % similar 1-Butyl-4-chlorobenzene15499-27-156 % similar 4-Butylphenol1638-22-856 % similar 4-Butyl-1,1'-biphenyl37909-95-856 % similar 1-Bromo-4-butylbenzene41492-05-156 % similar 4-Dodecylaniline104-42-752 % 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 N-Butylbenzylamine2403-22-7 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 N,N-Diethyl-o-toluidine606-46-2

Elsewhere

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