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13256-07-0 | 1-Pentanamine, N-methyl-N-nitroso-
CAS No: 13256-07-0 Catalog No: AG0010UD MDL No:
Product Description
Catalog Number:
AG0010UD
Chemical Name:
1-Pentanamine, N-methyl-N-nitroso-
CAS Number:
13256-07-0
Molecular Formula:
C6H14N2O
Molecular Weight:
130.1882
IUPAC Name:
N-methyl-N-pentylnitrous amide
InChI:
InChI=1S/C6H14N2O/c1-3-4-5-6-8(2)7-9/h3-6H2,1-2H3
InChI Key:
KSFCDINBDBFFSI-UHFFFAOYSA-N
SMILES:
CCCCCN(N=O)C
Properties
Complexity:
75.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.111g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.191g/mol
Monoisotopic Mass:
130.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Isolation and structural identification of a direct-acting mutagen derived from N-nitroso-N-methylpentylamine and Fenton's reagent with copper ion. | Bioorganic & medicinal chemistry 20110915 |
| Detoxification: a novel function of BRCA1 in tumor suppression? | Toxicological sciences : an official journal of the Society of Toxicology 20110701 |
| Gastroesophageal reflux leads to esophageal cancer in a surgical model with mice. | BMC gastroenterology 20090101 |
| Duodenal reflux leads to down regulation of DNA mismatch repair pathway in an animal model of esophageal cancer. | The Annals of thoracic surgery 20070201 |
| Selective decrease in the DNA base excision repair pathway in squamous cell cancer of the esophagus. | The Journal of thoracic and cardiovascular surgery 20070101 |
| Intake and food sources of nitrites and N-nitrosodimethylamine in Spain. | Public health nutrition 20060901 |
| Global analysis of altered gene expressions during the process of esophageal squamous cell carcinogenesis in the rat: a study combined with a laser microdissection and a cDNA microarray. | Cancer research 20050115 |
| Inhibition by allyl sulfides and phenethyl isothiocyanate of methyl-n-pentylnitrosamine depentylation by rat esophageal microsomes, human and rat CYP2E1, and Rat CYP2A3. | Nutrition and cancer 20040101 |
| Toxicological assessment of noxious inhalants. | GMS current topics in otorhinolaryngology, head and neck surgery 20040101 |
| Elevated susceptibility of the p53 knockout mouse esophagus to methyl-N-amylnitrosamine carcinogenesis. | Carcinogenesis 20020901 |
| Depentylation of the rat esophageal carcinogen, methyl-n-pentylnitrosamine, by microsomes from various human and rat tissues and by cytochrome P450 2A3. | Drug metabolism and disposition: the biological fate of chemicals 20010901 |
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