3-(Boc-amino)cyclohexanone - CAS 885280-38-6

Name: 3-(Boc-amino)cyclohexanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038953
Product Name:	3-(Boc-amino)cyclohexanone
CAS:	885280-38-6
Synonyms:	N-(3-oxocyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(3-oxocyclohexyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(3-oxocyclohexyl)carbamate
Description:	3-(Boc-amino)cyclohexanone (CAS# 885280-38-6) is used to prepare (benzyloxy)benzamides as TRPM8 antagonists.
Molecular Weight:	213.27
Molecular Formula:	C11H19NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCCC(=O)C1
InChI:	InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChI Key:	VGDCXKATFLOEHF-UHFFFAOYSA-N
Boiling Point:	335.9 °C at 760 mmHg
Density:	1.06 g/cm³
LogP:	2.41370

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021209055-A1	Imidazolinone derivative and use thereof in medicine	20200417
WO-2021207549-A1	Kinase inhibitors	20200410
WO-2021168313-A1	Setd2 inhibitors and related methods and uses, including combination therapies	20200219
CN-113121538-A	Furan derivative and application thereof in medicine	20191231
CN-113121573-A	Purine derivatives and their use in medicine	20191231

Complexity:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.13649347
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.13649347
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2