N-(3-Phenylpropyl)prop-2-yn-1-amine
Basic information
- CAS
56862-31-8- Standard SMILES
C#CCNCCCc1ccccc1- InChIKey
NLBZJJBFSOXACI-UHFFFAOYSA-N- Molecular formula
- C12H15N
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.12044948
Names & identifiers
- Preferred name
- N-(3-Phenylpropyl)prop-2-yn-1-amine
- IUPAC
- 3-phenyl-N-prop-2-ynylpropan-1-amine
Names & synonyms
56862-31-8N-(3-Phenylpropyl)prop-2-yn-1-amineDTXSID70573938RefChem:361500DTXCID40524710SCHEMBL10063072AKOS000248071
Database identifiers
- CAS
56862-31-8- PubChem CID
- 15545486
- DTXSID
DTXSID70573938- Nikkaji
- J1.694.696F
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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