N-tert-Butyl-N-(acetoxymethyl)nitrosamine

[tert-butyl(nitroso)amino]methyl acetate

CAS: 53198-38-2

Molecular Formula	`C7H14N2O3`
Molecular Weight	174.2 g/mol
LogP	1.2
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	174.10045
Heavy Atoms	12
Complexity	174.0

Chemical Identifiers

CAS Number	53198-38-2
SMILES	`CC(=O)OCN(C(C)(C)C)N=O`
InChIKey	`PUIYQGCSRPMBCQ-UHFFFAOYSA-N`

📖 Product Overview

N-tert-Butyl-N-(acetoxymethyl)nitrosamine (CAS: 53198-38-2) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.2 g/mol. Its IUPAC systematic name is [tert-butyl(nitroso)amino]methyl acetate. LogP 1.2 Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 174.10045 Heavy Atoms 12 Complexity 174.0 InChI Key: PUIYQGCSRPMBCQ-UHFFFAOYSA-N. SMILES: CC(=O)OCN(C(C)(C)C)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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