Phosphonic acid, (1-cyano-2-methylpropyl)-, diethyl ester

HCID 11031342CAS 60755-26-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOP(=O)(OCC)C(C#N)C(C)C
InChIKey
TXMNHLKZJPMSGH-UHFFFAOYSA-N
Molecular formula
C9H18NO3P
Average molar mass
219.22 g/mol
Monoisotopic mass
219.10243007

Names & identifiers

Preferred name
Phosphonic acid, (1-cyano-2-methylpropyl)-, diethyl ester
IUPAC
2-diethoxyphosphoryl-3-methylbutanenitrile

Names & synonyms

60755-26-22-(diethylphosphono)isovaleronitrilePhosphonic acid, (1-cyano-2-methylpropyl)-, diethyl esterSCHEMBL9342999DTXSID40452620TXMNHLKZJPMSGH-UHFFFAOYSA-NDiethyl (1-cyano-2-methylpropyl)phosphonate

Database identifiers

CAS
60755-26-2
PubChem CID
11031342
DTXSID
DTXSID40452620

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
14

Related reactions

8 records
New reaction record

Linked notes

Loading…