3-Amino-4-phenyl-2-butanone Hydrochloride - CAS 5440-27-7

Catalog:	BB028642
Product Name:	3-Amino-4-phenyl-2-butanone Hydrochloride
CAS:	5440-27-7
Synonyms:	3-amino-4-phenyl-2-butanone;hydrochloride; 3-amino-4-phenylbutan-2-one;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	3-amino-4-phenylbutan-2-one;hydrochloride
Description:	3-Amino-4-phenyl-2-butanone Hydrochloride (CAS# 5440-27-7) is a useful research chemical.
Molecular Weight:	199.68
Molecular Formula:	C10H14ClNO
Canonical SMILES:	CC(=O)C(CC1=CC=CC=C1)N.Cl
InChI:	InChI=1S/C10H13NO.ClH/c1-8(12)10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7,11H2,1H3;1H
InChI Key:	NMCSZKJGITYITB-UHFFFAOYSA-N
Boiling Point:	261.6 °C at 760 mmHg
Density:	1.043 g/cm³
LogP:	2.64770

Publication Number	Title	Priority Date
AU-666414-B2	Thiazolidinedione derivatives, their production and use	19921228
CA-2112283-A1	Thiazolidinedione derivatives, their production and use	19921228
CN-1056372-C	Thiazolidinedione derivatives, their production and use	19921228
CN-1094726-A	Thiazolidine diketone derivative, their preparation method and purposes	19921228
CZ-287693-A3	Thiazolidinedione derivatives, process for preparing and use	19921228

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
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[1427004-19-0]
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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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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:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.0763918
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	199.0763918
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.1 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0