4-tert-Butylcyclohexylamine

HCID 79396CAS 2163-34-0

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)C1CCC(N)CC1
InChIKey: BGNLXETYTAAURD-UHFFFAOYSA-N
Molecular formula: C10H21N
Average molar mass: 155.28 g/mol
Monoisotopic mass: 155.16739967

Overview

structure given in first source

Names & identifiers

Preferred name: 4-tert-Butylcyclohexylamine
IUPAC: 4-tert-butylcyclohexan-1-amine
English name: 4-tert-Butylcyclohexanamine
Molecular formula: C10H21N
Molecular weight: 155.28

Names & synonyms

5400-88-44-tert-Butylcyclohexylamine4-t-ButylcyclohexylamineDTXSID002023204-t-Bu-cyclohexylamineRefChem:100519DTXCID00124811226-444-74-(tert-Butyl)cyclohexanamine2163-33-92163-34-04-tert-butylcyclohexanamine

Show more names

trans-4-t-butylcyclohexylaminetrans-4-tert-Butyl-cyclohexylamine(1r,4r)-4-(tert-butyl)cyclohexanamine(1r,4r)-4-(tert-butyl)cyclohexan-1-aminetrans-4-(1,1-Dimethylethyl)cyclohexanamineTrans-4-(Tert-Butyl)Cyclohexanamine(WXC00784)Cyclohexanamine, 4-(1,1-dimethylethyl)-, trans-

4-tert-butylcyclohexan-1-amine4-Amino-1-tert-butylcyclohexaneCIS-1-AMINO-4-TERT-BUTYLCYCLOHEXANETRANS-4-(TERT-BUTYL)CYCLOHEXANAMINE4-(tert-butyl)cyclohexan-1-aminecis-4-tert-butylcyclohexanamineMFCD00013763MFCD20690546

Database identifiers

CAS: 2163-34-0、5400-88-4
PubChem CID: 79396
DTXSID: DTXSID00202320
ChEMBL: CHEMBL1097725
EC Number: 226-444-7
Nikkaji: J217.962H、J3.087.037I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 115

Physicochemical properties

Melting point: 81 · 81-83 °C
Boiling point: 142 · 142-145 °C(Press: 19 Torr)
Density: 0.861 · 0.861±0.06 g/cm3(Predicted)
pka: 10.58 · 10.58±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (87.2%): Harmful if swallowed [Warning Acute toxicity, oral]

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, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.