6-(Boc-amino)-3-azabicyclo[3.1.0]hexane - CAS 198211-38-0

Catalog:	BB015324
Product Name:	6-(Boc-amino)-3-azabicyclo[3.1.0]hexane
CAS:	198211-38-0
Synonyms:	N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamic acid tert-butyl ester; tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(3-azabicyclo[3.1.0]hexan-6-yl)carbamate
Description:	6-(Boc-amino)-3-azabicyclo[3.1.0]hexane (CAS# 198211-38-0 ) is a useful research chemical.
Molecular Weight:	198.26
Molecular Formula:	C10H18N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1C2C1CNC2
InChI:	InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-6-4-11-5-7(6)8/h6-8,11H,4-5H2,1-3H3,(H,12,13)
InChI Key:	QIYOMZXJQAKHEK-UHFFFAOYSA-N
MDL:	MFCD10698578
LogP:	1.44860

Publication Number	Title	Priority Date
WO-2021066088-A1	Novel triazine derivative	20191002
WO-2020248972-A1	Heterocyclic compounds as kinase inhibitors, compositions comprising the heterocyclic compound, and methods of use thereof	20190610
WO-2020150372-A1	Antimicrobial compounds and methods	20190116
US-2019367515-A1	Autotaxin inhibitors and uses thereof	20180529
WO-2019228403-A1	Autotaxin inhibitors and uses thereof	20180529

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.136827821
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	198.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6