N-Amyl-N-(3-carboxypropyl)nitrosamine

4-[nitroso(pentyl)amino]butanoic acid

CAS: 62018-94-4

Molecular Formula	`C9H18N2O3`
Molecular Weight	202.25 g/mol
LogP	1.8
Topological Polar Surface Area	70.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	202.13174
Heavy Atoms	14
Complexity	173.0

Chemical Identifiers

CAS Number	62018-94-4
SMILES	`CCCCCN(CCCC(=O)O)N=O`
InChIKey	`PMWVZXPECCJXLY-UHFFFAOYSA-N`

📖 Product Overview

N-Amyl-N-(3-carboxypropyl)nitrosamine (CAS: 62018-94-4) is a chemical compound with molecular formula C9H18N2O3 and molecular weight 202.25 g/mol. Its IUPAC systematic name is 4-[nitroso(pentyl)amino]butanoic acid. LogP 1.8 Topological Polar Surface Area 70.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 202.13174 Heavy Atoms 14 Complexity 173.0 InChI Key: PMWVZXPECCJXLY-UHFFFAOYSA-N. SMILES: CCCCCN(CCCC(=O)O)N=O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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