CAS 671-42-1 | 3-Aminoazepan-2-one | CAS Number 671-42-1

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671-42-1 | 3-Aminoazepan-2-one

CAS No: 671-42-1 Catalog No: AG003PTG MDL No:MFCD00064475

Product Description

Catalog Number:

AG003PTG

Chemical Name:

3-Aminoazepan-2-one

CAS Number:

671-42-1

Molecular Formula:

C6H12N2O

Molecular Weight:

128.1723

MDL Number:

MFCD00064475

IUPAC Name:

3-aminoazepan-2-one

InChI:

InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)

InChI Key:

BOWUOGIPSRVRSJ-UHFFFAOYSA-N

SMILES:

O=C1NCCCCC1N

EC Number:

211-584-3

NSC Number:

522223

Properties

Complexity:

114

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

128.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

128.175g/mol

Monoisotopic Mass:

128.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.5

Literature

Title	Journal
Dynamic kinetic resolution of amino acid amide catalyzed by D-aminopeptidase and alpha-amino-epsilon-caprolactam racemase.	Journal of the American Chemical Society 20050601
Chiral liquid chromatography-mass spectrometry for high-throughput screening of enzymatic racemase activity.	Journal of chromatography. A 20031205
Proton mobility and main fragmentation pathways of protonated lysylglycine.	Rapid communications in mass spectrometry : RCM 20010101