4-(Boc-aminomethyl)cyclohexanone - CAS 809273-70-9

Catalog:	BB036582
Product Name:	4-(Boc-aminomethyl)cyclohexanone
CAS:	809273-70-9
Synonyms:	N-[(4-oxocyclohexyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate
Description:	4-(Boc-aminomethyl)cyclohexanone (CAS# 809273-70-9) is a useful research chemical.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCC(=O)CC1
InChI:	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChI Key:	KYOXDOGUXCYNAW-UHFFFAOYSA-N
Appearance:	White powder
LogP:	2.66130

Publication Number	Title	Priority Date
WO-2021127586-A1	Protein tyrosine phosphatase degraders and methods of use thereof	20191220
WO-2020251971-A1	Smarca degraders and uses thereof	20190610
BR-112020022092-A2	compounds, method for treating unregulated apoptotic diseases and pharmaceutical composition	20180429
CN-112437772-A	Bcl-2 inhibitors	20180429
KR-20210005677-A	Bcl-2 inhibitor	20180429

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, 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

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.15214353
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.15214353
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4