Basic information
- CAS
1491330-97-2- Standard SMILES
N#CCCNCC1CC(O)C1- InChIKey
RDDDDZKTBIRBIZ-UHFFFAOYSA-N- Molecular formula
- C8H14N2O
- Average molar mass
- 154.21 g/mol
- Monoisotopic mass
- 154.11061307
Names & identifiers
- Preferred name
- 3-{[(3-Hydroxycyclobutyl)methyl]amino}propanenitrile
- IUPAC
- 3-[(3-hydroxycyclobutyl)methylamino]propanenitrile
Names & synonyms
DTXSID501203773AKOS0153474263-{[(3-hydroxycyclobutyl)methyl]amino}propanenitrilePropanenitrile, 3-[[(3-hydroxycyclobutyl)methyl]amino]-1491330-97-2
Database identifiers
- CAS
1491330-97-2- PubChem CID
- 66005299
- DTXSID
DTXSID501203773
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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