2,4-Dimethylpentanenitrile

HCID 21881676
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Basic information

CAS
69975-94-6
Standard SMILES
CC(C)CC(C)C#N
InChIKey
COXCGWKSEPPDAA-UHFFFAOYSA-N
Molecular formula
C7H13N
Average molar mass
111.18 g/mol
Monoisotopic mass
111.10479942

Names & identifiers

Preferred name
2,4-Dimethylpentanenitrile
IUPAC
2,4-dimethylpentanenitrile

Names & synonyms

2,4-dimethylpentanenitrile69975-94-62,4-DIMETHYLVALERONITRILEPentanenitrile, 2,4-dimethyl-H57Z2TS56QUNII-H57Z2TS56QDTXSID40619337RefChem:82545DTXCID00570091SCHEMBL28290SCHEMBL225438SCHEMBL11138096
Show more names
SCHEMBL18550127COXCGWKSEPPDAA-UHFFFAOYSA-NAKOS009459973EN300-1263133Q27279661Z415654744

Database identifiers

CAS
69975-94-6
PubChem CID
21881676
DTXSID
DTXSID40619337
UNII
H57Z2TS56Q
Nikkaji
J275.806G

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
8

Related reactions

4 records
New reaction record

Compound notes

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