cis-N-Cbz-1,4-cyclohexanediamine - CAS 149423-70-1

Catalog:	BB010404
Product Name:	cis-N-Cbz-1,4-cyclohexanediamine
CAS:	149423-70-1
Synonyms:	N-(4-aminocyclohexyl)carbamic acid (phenylmethyl) ester; benzyl N-(4-aminocyclohexyl)carbamate

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Computed Properties

IUPAC Name:	benzyl N-(4-aminocyclohexyl)carbamate
Description:	cis-N-Cbz-1,4-cyclohexanediamine (CAS# 149423-70-1) is a useful research chemical.
Molecular Weight:	248.32
Molecular Formula:	C14H20N2O2
Canonical SMILES:	C1CC(CCC1N)NC(=O)OCC2=CC=CC=C2
InChI:	InChI=1S/C14H20N2O2/c15-12-6-8-13(9-7-12)16-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15H2,(H,16,17)
InChI Key:	JQVBZZUMWRXDSQ-UHFFFAOYSA-N
MDL:	MFCD06657668
LogP:	3.27390

Publication Number	Title	Priority Date
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
US-2020347043-A1	Modulators of the integrated stress pathway	20190430
WO-2020142612-A1	Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme i (ire i alpha) for the treatment of cancer diseases.	20190103
TW-202039466-A	Pyrido-pyrimidinone and pteridinone compounds and methods of use	20190103

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.152477885
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	248.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8