CAS 13256-06-9 | 1-Pentanamine, N-nitroso-N-pentyl- | CAS Number 13256-06-9

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13256-06-9 | 1-Pentanamine, N-nitroso-N-pentyl-

CAS No: 13256-06-9 Catalog No: AG0010UE MDL No:

Product Description

Catalog Number:

AG0010UE

Chemical Name:

1-Pentanamine, N-nitroso-N-pentyl-

CAS Number:

13256-06-9

Molecular Formula:

C10H22N2O

Molecular Weight:

186.2945

IUPAC Name:

N,N-dipentylnitrous amide

InChI:

InChI=1S/C10H22N2O/c1-3-5-7-9-12(11-13)10-8-6-4-2/h3-10H2,1-2H3

InChI Key:

OELWBYBVFOLSTA-UHFFFAOYSA-N

SMILES:

CCCCCN(N=O)CCCCC

UNII:

7Q89WR197I

NSC Number:

73601

Properties

Complexity:

108

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.299g/mol

Monoisotopic Mass:

186.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7

Literature

Title	Journal
A competitive ELISA detecting 7-methylguanosine adduct induced by N-nitrosodimethylamine exposure.	Human & experimental toxicology 20050201
Detection of in vivo genotoxicity of endogenously formed N-nitroso compounds and suppression by ascorbic acid, teas and fruit juices.	Mutation research 20030805