CAS 19264-34-7 | Propanamide, N-acetyl- | CAS Number 19264-34-7

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19264-34-7 | Propanamide, N-acetyl-

CAS No: 19264-34-7 Catalog No: AG002G5W MDL No:

Product Description

Catalog Number:

AG002G5W

Chemical Name:

Propanamide, N-acetyl-

CAS Number:

19264-34-7

Molecular Formula:

C5H9NO2

Molecular Weight:

115.1305

IUPAC Name:

N-acetylpropanamide

InChI:

InChI=1S/C5H9NO2/c1-3-5(8)6-4(2)7/h3H2,1-2H3,(H,6,7,8)

InChI Key:

NAQKKBXQFQIQAB-UHFFFAOYSA-N

SMILES:

CCC(=O)NC(=O)C

Properties

Complexity:

109

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

115.063g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

115.132g/mol

Monoisotopic Mass:

115.063g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.2

Literature

Title	Journal
Uptake of S-(3-amino-3-oxopropyl)-cysteine by Caco-2 cells.	Zeitschrift fur Naturforschung. C, Journal of biosciences 20080101
Analysis of urinary N-acetyl-S-(propionamide)-cysteine as a biomarker for the assessment of acrylamide exposure in smokers.	Environmental research 20070701
Quantification of urinary N-acetyl-S- (propionamide)cysteine using an on-line clean-up system coupled with liquid chromatography/tandem mass spectrometry.	Journal of mass spectrometry : JMS 20050401