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N-Butyl-N-(2,2-dimethoxyethyl)nitrous amide

HCID 85533333
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Basic information

CAS
111348-64-2
Standard SMILES
CCCCN(CC(OC)OC)N=O
InChIKey
VSDDZKZVUKGMDB-UHFFFAOYSA-N
Molecular formula
C8H18N2O3
Average molar mass
190.24 g/mol
Monoisotopic mass
190.13174244

Names & identifiers

Preferred name
N-Butyl-N-(2,2-dimethoxyethyl)nitrous amide
IUPAC
N-butyl-N-(2,2-dimethoxyethyl)nitrous amide

Names & synonyms

DTXSID701252869N-Butyl-N-(2,2-dimethoxyethyl)nitrous amideN-(2,2-Dimethoxyethyl)-N-nitroso-1-butanamine111348-64-2

Database identifiers

CAS
111348-64-2
PubChem CID
85533333
DTXSID
DTXSID701252869

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
51.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
13
Formal charge
0
Complexity
129

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Compound notes

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