4-tert-Butylaniline

C₁₀H₁₅NCAS 769-92-6149.24 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₁₅N
Molar mass: 149.24 g/mol
Exact mass: 149.1204 Da
Density: 0.9414 g/mL (at 25 °C)
Melting point: 17 °C
Boiling point: 241 °C
logP: 2.57Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed62.1% of notifiers
H314 Causes severe skin burns and eye damage11.7% of notifiers
H315 Causes skin irritation87.4% of notifiers
H319 Causes serious eye irritation89.3% of notifiers
H332 Harmful if inhaled46.6% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

769-92-6

SMILES

CC(C)(C)c1ccc(N)cc1

InChIKey

WRDWWAVNELMWAM-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4-(1,1-dimethylethyl)-
Aniline, p-tert-butyl-
4-(1,1-Dimethylethyl)benzenamine
p-tert-Butylaniline
4-Amino-tert-butylbenzene
4-tert-Butylbenzenamine
4-tert-Butylphenylamine
4-(1,1-Dimethylethyl)aniline
p-(tert-Butyl)phenylamine
4-t-Butylphenylamine

Work with 4-tert-Butylaniline

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

1,4-Di-tert-butylbenzene1012-72-267 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-857 % similar 4,4′,4′′,4′′′-Methanetetrayltetrakis[benzenamine]60532-63-057 % similar 3,5-Bis(1,1-dimethylethyl)benzenamine2380-36-157 % similar 2-(4-Aminophenyl)-2-methylpropanenitrile115279-57-756 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-754 % similar 4-tert-Butyltoluene98-51-152 % similar 5-Amino-2-(4-tert-butylphenoxy)pyridine218457-67-152 % 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 Benzenebutanamine13214-66-9 (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

Elsewhere

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