Benzenebutanamine

C₁₀H₁₅NCAS 13214-66-9149.24 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₁₅N
Molar mass: 149.24 g/mol
Exact mass: 149.1204 Da
Boiling point: 123–124 °C
pKa: 10.5
logP: 1.97Crippen 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 damage11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% 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

13214-66-9

SMILES

NCCCCc1ccccc1

InChIKey

AGNFWIZBEATIAK-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2

Weigh it out

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

Names and synonyms

11 names

Butylamine, 4-phenyl-
4-Phenylbutylamine
4-Phenyl-1-butylamine
δ-Phenyl-n-butylamine
δ-Phenbutylamine
4-Phenyl-n-butylamine
4-Benzenebutanamine
4-Phenylbutanamine
1-Amino-4-phenylbutane
4-Phenyl-1-aminobutane
4-Phenylbutan-1-amine

Work with Benzenebutanamine

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

Benzenepropanamine2038-57-584 % similar Benzeneethanamine64-04-070 % similar 2-Phenylethylamine hydrochloride156-28-561 % similar 1,3-Diphenylpropane1081-75-058 % similar N-Benzyl-1,3-propanediamine13910-48-056 % similar Bibenzyl103-29-753 % similar Benzylamine100-46-950 % similar 1-Bromo-4-phenylbutane13633-25-550 % similar

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

Same formula

Isopropylbenzylamine102-97-6 4-Butylaniline104-13-2 N-Butylaniline1126-78-9 (alphaS)-N,N,alpha-Trimethylbenzenemethanamine17279-31-1 3,4-Dimethylphenethylamine17283-14-6 (αR)-N,N,α-Trimethylbenzenemethanamine19342-01-9 2-Amino-p-cymene2051-53-8 1-Methyl-3-phenylpropylamine22148-77-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook