1-Amino-2-butanone Hydrochloride - CAS 108661-54-7

Catalog:	BB002313
Product Name:	1-Amino-2-butanone Hydrochloride
CAS:	108661-54-7
Synonyms:	1-amino-2-butanone;hydrochloride; 1-aminobutan-2-one;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-aminobutan-2-one;hydrochloride
Description:	1-Amino-2-butanone Hydrochloride (CAS# 108661-54-7) is a useful research chemical.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	CCC(=O)CN.Cl
InChI:	InChI=1S/C4H9NO.ClH/c1-2-4(6)3-5;/h2-3,5H2,1H3;1H
InChI Key:	DGSSJZJBCABUMD-UHFFFAOYSA-N
Boiling Point:	136.1 ℃ at 760 mmHg
Storage:	Inert atmosphere, Room Temperature
LogP:	1.42650

Publication Number	Title	Priority Date
EP-3822265-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
EP-3822268-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
WO-2021094436-A1	Substituted hydantoinamides as adamts7 antagonists	20191115
JP-2011026305-A	Pharmaceutical composition containing an imidazolecarbonyl compound	20090624
CA-2710959-A1	Imidazole carbonyl compounds and use thereof for treating bacterial infections	20071227

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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:	51.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0450916
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0