4-Amino-4-phenylbutanenitrile hydrochloride
Basic information
- CAS
1423029-42-8- Standard SMILES
Cl.N#CCCC(N)c1ccccc1- InChIKey
GDSIKCDGBWGOLA-UHFFFAOYSA-N- Molecular formula
- C10H13ClN2
- Average molar mass
- 196.67 g/mol
- Monoisotopic mass
- 196.0767261
Names & identifiers
- Preferred name
- 4-Amino-4-phenylbutanenitrile hydrochloride
- IUPAC
- 4-amino-4-phenylbutanenitrile;hydrochloride
Names & synonyms
4-amino-4-phenylbutanenitrile hydrochloride1423029-42-84-amino-4-phenylbutanenitrile;hydrochlorideDTXSID001379646YGC02942AKOS0333777304-amino-4-phenylbutanenitrilehydrochlorideEN300-114850Benzenebutanenitrile, I(3)-amino-, hydrochloride (1:1)Z1492796961
Database identifiers
- CAS
1423029-42-8- PubChem CID
- 71756887
- DTXSID
DTXSID001379646
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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