CAS 25114-81-2 | 1H-Azepine-1-carboxaldehyde, hexahydro- | CAS Number 25114-81-2

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Aldehydes > 25114-81-2

25114-81-2 | 1H-Azepine-1-carboxaldehyde, hexahydro-

CAS No: 25114-81-2 Catalog No: AG002QJD MDL No:

Product Description

Catalog Number:

AG002QJD

Chemical Name:

1H-Azepine-1-carboxaldehyde, hexahydro-

CAS Number:

25114-81-2

Molecular Formula:

C7H13NO

Molecular Weight:

127.1842

IUPAC Name:

azepane-1-carbaldehyde

InChI:

InChI=1S/C7H13NO/c9-7-8-5-3-1-2-4-6-8/h7H,1-6H2

InChI Key:

AIPVTTKYSPOWFO-UHFFFAOYSA-N

SMILES:

O=CN1CCCCCC1

EC Number:

246-630-1

NSC Number:

89712

Properties

Complexity:

84.9

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

127.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

127.187g/mol

Monoisotopic Mass:

127.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Characterization of S-(N,N-Dialkylaminocarbonyl)cysteine Adducts and Enzyme Inhibition Produced by Thiocarbamate Herbicides in the Rat.	Chemical research in toxicology 20040201
Identification of a S-hexahydro-1H-azepine-1-carbonyl adduct produced by molinate on rat hemoglobin beta(2) and beta(3) chains in vivo.	Chemical research in toxicology 20020201