tert-Butyl N-(4-Amino-1-methylcyclohexyl)carbamate - CAS 1254058-26-8

Name: tert-Butyl N-(4-Amino-1-methylcyclohexyl)carbamate
Brand: BOC Sciences
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Catalog:	BB071650
Product Name:	tert-Butyl N-(4-Amino-1-methylcyclohexyl)carbamate
CAS:	1254058-26-8
Synonyms:	tert-butyl (4-amino-1-methylcyclohexyl)carbamate; tert-butyl N-(4-amino-1-methylcyclohexyl)carbamate; tert-Butyl N-[cis-4-amino-1-methylcyclohexyl]carbamate; tert-Butyl N-[trans-4-amino-1-methylcyclohexyl]carbamate; Carbamic acid, (cis-4-amino-1-methylcyclohexyl)-, 1,1-dimethylethylester; Carbamic acid, (trans-4-amino-1-methylcyclohexyl)-, 1,1-dimethylethylester

Technical Data

IUPAC Name:	tert-butyl N-(4-amino-1-methylcyclohexyl)carbamate
Molecular Weight:	228.33
Molecular Formula:	C12H24N2O2
Canonical SMILES:	CC1(CCC(CC1)N)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,14,15)
InChI Key:	NCOAYDYNUYRLJH-UHFFFAOYSA-N

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.183778013
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	228.183778013
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5