2-(Boc-amino)-3-methylbutylamine - CAS 871235-24-4

Catalog:	BB038279
Product Name:	2-(Boc-amino)-3-methylbutylamine
CAS:	871235-24-4
Synonyms:	N-(1-amino-3-methylbutan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(1-amino-3-methylbutan-2-yl)carbamate
Description:	2-(Boc-amino)-3-methylbutylamine (CAS# 871235-24-4) is a useful reagent in the preparation of pyrimidine derivatives as CCR4 antagonists.
Molecular Weight:	202.29
Molecular Formula:	C10H22N2O2
Canonical SMILES:	CC(C)C(CN)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C10H22N2O2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6,11H2,1-5H3,(H,12,13)
InChI Key:	GKTZYOHYPBQYAX-UHFFFAOYSA-N
LogP:	2.39910

Publication Number	Title	Priority Date
EP-3601282-A1	Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection	20170330
TW-201900653-A	Novel pyrido[2,3-b]indole compounds for the treatment and prevention of bacterial infections	20170330
US-10662203-B2	Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection	20170330
US-2018327425-A1	Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection	20170330
WO-2018178041-A1	Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection	20170330

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Related Functional Groups

Amines and Anilines

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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+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.168127949
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	202.168127949
Rotatable Bond Count:	5
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4