Basic information
- CAS
91375-44-9- Standard SMILES
NCC#CCc1ccccc1- InChIKey
IVGUVVWQZREBAF-UHFFFAOYSA-N- Molecular formula
- C10H11N
- Average molar mass
- 145.2 g/mol
- Monoisotopic mass
- 145.08914936
Names & identifiers
- Preferred name
- 4-Phenylbut-2-YN-1-amine
- IUPAC
- 4-phenylbut-2-yn-1-amine
Names & synonyms
3-Benzylpropargylamine4-PHENYLBUT-2-YN-1-AMINE91375-44-9SCHEMBL8826116DTXSID20580975IVGUVVWQZREBAF-UHFFFAOYSA-NAKOS006337199
Database identifiers
- CAS
91375-44-9- PubChem CID
- 16005118
- DTXSID
DTXSID20580975
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
1 records
Compound notes
Loading…