trans-1-(Boc-amino)-4-cyanocyclohexane - CAS 873537-32-7

Catalog:	BB038397
Product Name:	trans-1-(Boc-amino)-4-cyanocyclohexane
CAS:	873537-32-7
Synonyms:	N-(4-cyanocyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(4-cyanocyclohexyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4-cyanocyclohexyl)carbamate
Description:	trans-1-(Boc-amino)-4-cyanocyclohexane (CAS# 873537-32-7) is a useful research chemical.
Molecular Weight:	224.30
Molecular Formula:	C12H20N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(CC1)C#N
InChI:	InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10/h9-10H,4-7H2,1-3H3,(H,14,15)
InChI Key:	QHZJRHRMFIDRFL-UHFFFAOYSA-N
MDL:	MFCD11707221
LogP:	2.98438

Publication Number	Title	Priority Date
WO-2021209055-A1	Imidazolinone derivative and use thereof in medicine	20200417
CN-113121538-A	Furan derivative and application thereof in medicine	20191231
CN-113121573-A	Purine derivatives and their use in medicine	20191231
WO-2021136461-A1	Purine derivative and medical use thereof	20191231
WO-2021136462-A1	Furan derivatives and application thereof in medicine	20191231

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Related Functional Groups

Nitrogen Compounds

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[55877-31-1]
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[916792-07-9]
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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.152477885
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.152477885
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9