Basic information
- CAS
90088-72-5- Standard SMILES
CC(CC#N)NC(C)CC#N- InChIKey
XCZJUCJIQIXSBZ-UHFFFAOYSA-N- Molecular formula
- C8H13N3
- Average molar mass
- 151.21 g/mol
- Monoisotopic mass
- 151.11094743
Names & identifiers
- Preferred name
- 3,3'-Azanediyldibutanenitrile
- IUPAC
- 3-(1-cyanopropan-2-ylamino)butanenitrile
Names & synonyms
90088-72-53,3'-AzanediyldibutanenitrileDTXSID801009146RefChem:1065546DTXCID9014359723,3'-IminodibutyronitrileDi(2-cianoisopropil)ammina [Italian]Di(2-cianoisopropil)amminaBUTYRONITRILE, 3,3'-IMINODI-BRN 17570852655 I.S.2-04-00-00836 (Beilstein Handbook Reference)
Database identifiers
- CAS
90088-72-5- PubChem CID
- 56035
- DTXSID
DTXSID801009146- Nikkaji
- J67.426E
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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