1-Aminoacetone Hydrochloride - CAS 7737-17-9

Catalog:	BB035911
Product Name:	1-Aminoacetone Hydrochloride
CAS:	7737-17-9
Synonyms:	1-amino-2-propanone;hydrochloride; 1-aminopropan-2-one;hydrochloride

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Computed Properties

IUPAC Name:	1-aminopropan-2-one;hydrochloride
Description:	1-Aminoacetone Hydrochloride (CAS# 7737-17-9) is a compound useful in organic synthesis.
Molecular Weight:	109.55
Molecular Formula:	C3H8ClNO
Canonical SMILES:	CC(=O)CN.Cl
InChI:	InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2,4H2,1H3;1H
InChI Key:	RUCLDQBBIJKQHO-UHFFFAOYSA-N
Boiling Point:	120.6 °C at 760 mmHg
Density:	0.926 g/cm³
MDL:	MFCD00056125
LogP:	1.03640

Publication Number	Title	Priority Date
CN-112010852-A	Compound for inhibiting PCa cell transfer and application	20200812
CN-112010852-B	Compound for inhibiting PCa cell transfer and application	20200812
WO-2021119081-A1	Hepatitis b capsid assembly modulators	20191210
CN-112824398-A	Immunomodulator	20191120
WO-2021098844-A1	Immunomodulator	20191120

PMID	Publication Date	Title	Journal
22666463	20120101	Role of operon aaoSo-mutT in antioxidant defense in Streptococcus oligofermentans	PloS one
19663419	20090903	Aminoacetone as the penultimate precursor to the antitumor agent azinomycin A	Organic letters
18845121	20090101	A fluorometric high-performance liquid chromatography procedure for simultaneous determination of methylamine and aminoacetone in blood and tissues	Analytical biochemistry
18702946	20080901	Methylglyoxal production in vascular smooth muscle cells from different metabolic precursors	Metabolism: clinical and experimental
18729331	20080901	Aminoacetone, a putative endogenous source of methylglyoxal, causes oxidative stress and death to insulin-producing RINm5f cells	Chemical research in toxicology

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	42.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.0294416
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	109.0294416
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0