2-(n-Pentylamino)acetonitrile
Basic information
- CAS
33211-97-1- Standard SMILES
CCCCCNCC#N- InChIKey
UYSWGJRTNAKZIE-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Overview
structure given in first source; an analog of milacemide
Names & identifiers
- Preferred name
- 2-(n-Pentylamino)acetonitrile
- IUPAC
- 2-(pentylamino)acetonitrile
- English name
- Acetonitrile, (pentylamino)-
- Molecular weight
- 0
Names & synonyms
2-(n-Pentylamino)acetonitrile33211-97-1Acetonitrile, (pentylamino)-DTXSID30186866RefChem:84830DTXCID701093572-(pentylamino)acetonitrileCHEMBL139751(pentylamino)acetonitrilePentylamino-acetonitrileSCHEMBL3625621BDBM50046766
Show more names
AKOS000251570
Database identifiers
- CAS
33211-97-1- PubChem CID
- 193151
- DTXSID
DTXSID30186866- ChEMBL
CHEMBL139751- Nikkaji
- J527.934H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.3
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Related reactions
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Compound notes
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