Butanoic acid, 4-((1,1-dimethylethyl)nitrosoamino)-

HCID 43874

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Basic information

CAS: 62018-93-3
Standard SMILES: CC(C)(C)N(CCCC(=O)O)N=O
InChIKey: LOBDXBITMYQKEM-UHFFFAOYSA-N
Molecular formula: C8H16N2O3
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.11609238

Names & identifiers

Preferred name: Butanoic acid, 4-((1,1-dimethylethyl)nitrosoamino)-
IUPAC: 4-[tert-butyl(nitroso)amino]butanoic acid

Names & synonyms

62018-93-34-[tert-butyl(nitroso)amino]butanoic acidBUTANOIC ACID, 4-((1,1-DIMETHYLETHYL)NITROSOAMINO)-N-tert-Butyl-N-(3-carboxypropyl)nitrosamineBRN 22532894-((1,1-Dimethylethyl)nitrosoamino)butanoic acid4-[tert-butyl(nitroso)amino]butanoicacidDTXSID20211075EBC-395145EN300-8131865

Database identifiers

CAS: 62018-93-3
PubChem CID: 43874
DTXSID: DTXSID20211075

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 70 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 186

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