trans-N-Boc-1,4-di(aminomethyl)cyclohexane - CAS 166168-16-7

Catalog:	BB012247
Product Name:	trans-N-Boc-1,4-di(aminomethyl)cyclohexane
CAS:	166168-16-7
Synonyms:	N-[[4-(aminomethyl)cyclohexyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[4-(aminomethyl)cyclohexyl]methyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[[4-(aminomethyl)cyclohexyl]methyl]carbamate
Description:	trans-N-Boc-1,4-di(aminomethyl)cyclohexane (CAS# 166168-16-7) is a useful research chemical.
Molecular Weight:	242.36
Molecular Formula:	C13H26N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCC1CCC(CC1)CN
InChI:	InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChI Key:	NYXOBVVHJZENCO-UHFFFAOYSA-N
MDL:	MFCD04112680
LogP:	3.36740

Publication Number	Title	Priority Date
WO-2020173935-A1	New isoindolinone substituted indoles and derivatives as ras inhibitors	20190226
CN-113474340-A	Novel isoindolinone substituted indoles and derivatives as RAS inhibitors	20190226
US-10981882-B1	Compound for inhibiting IDO, a manufacturing method and a use thereof	20170407
US-2021107882-A1	Compound for inhibiting ido, a manufacturing method and a use thereof	20170407
EP-3507281-A1	Imidazole derivatives and their use in the treatment of autoimmune or inflammatory diseases or cancers	20160902

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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:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.199428076
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	242.199428076
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7