cis-4-(Boc-amino)cyclohexanecarbaldehyde - CAS 181308-56-5

Catalog:	BB013803
Product Name:	cis-4-(Boc-amino)cyclohexanecarbaldehyde
CAS:	181308-56-5
Synonyms:	N-(4-formylcyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(4-formylcyclohexyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4-formylcyclohexyl)carbamate
Description:	cis-4-(Boc-amino)cyclohexanecarbaldehyde (CAS# 181308-56-5) is a useful research chemical compound.
Molecular Weight:	227.30
Molecular Formula:	C12H21NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1CCC(CC1)C=O
InChI:	InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h8-10H,4-7H2,1-3H3,(H,13,15)
InChI Key:	GPDBIGSFXXKWQR-UHFFFAOYSA-N
LogP:	2.65970

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
WO-2021058017-A1	Degradation of androgen receptor (ar) by conjugation of ar antagonists with e3 ligase ligand and methods of use	20190929
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P313, P337+P317, P362+P364, 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:	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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7