4-tert-Butylcyclohexylamine

C₁₀H₂₁NCAS 5400-88-4155.28 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₀H₂₁N
Molar mass: 155.28 g/mol
Exact mass: 155.1674 Da
logP: 2.55Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed87.2% of notifiers
H314 Causes severe skin burns and eye damage17% of notifiers
H315 Causes skin irritation83% of notifiers
H319 Causes serious eye irritation83% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5400-88-4

SMILES

CC(C)(C)C1CCC(N)CC1

InChIKey

BGNLXETYTAAURD-UHFFFAOYSA-N

InChI

InChI=1S/C10H21N/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7,11H2,1-3H3

Weigh it out

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

Names and synonyms

5 names

Cyclohexanamine, 4-(1,1-dimethylethyl)-
Cyclohexylamine, 4-tert-butyl-
4-(1,1-Dimethylethyl)cyclohexanamine
4-tert-Butylcyclohexanamine
NSC 10399

Work with 4-tert-Butylcyclohexylamine

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

trans-2-(4-Amino-cyclohexyl)-propan-2-ol899806-45-256 % similar trans-1,4-Diaminocyclohexane2615-25-050 % similar 1,4-Diaminocyclohexane3114-70-350 % similar tert-Butylcyclohexane3178-22-150 % similar 4-(Trifluoromethyl)cyclohexanamine58665-70-650 % similar Cyclopropylamine765-30-050 % similar 4-tert-Butylcyclohexanol98-52-250 % similar trans-4-Methylcyclohexylamine2523-55-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-3-Cyclohexyl-2-methylpropan-1-amine2248183-91-5 1,2,2,6,6-Pentamethylpiperidine79-55-0 N,N-Diethylcyclohexylamine91-65-6

Elsewhere

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