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3-Pentanone, 1-(nitrosopentylamino)-

HCID 187014
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Basic information

CAS
79448-22-9
Standard SMILES
CCCCCN(CCC(=O)CC)N=O
InChIKey
PFUMJUUIAODPQS-UHFFFAOYSA-N
Molecular formula
C10H20N2O2
Average molar mass
200.28 g/mol
Monoisotopic mass
200.15247789

Names & identifiers

Preferred name
3-Pentanone, 1-(nitrosopentylamino)-
IUPAC
N-(3-oxopentyl)-N-pentylnitrous amide

Names & synonyms

3-Pentanone, 1-(nitrosopentylamino)-79448-22-9N-(3-oxopentyl)-N-pentylnitrous amide1-(Nitrosopentylamino)-3-pentanoneDTXSID40229672

Database identifiers

CAS
79448-22-9
PubChem CID
187014
DTXSID
DTXSID40229672

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
49.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
14
Formal charge
0
Complexity
172

Related reactions

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Compound notes

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