Basic information
- CAS
918871-63-3- Standard SMILES
COc1ccc(C#CCCN)cc1- InChIKey
VVEBXHIYHLNGCX-UHFFFAOYSA-N- Molecular formula
- C11H13NO
- Average molar mass
- 175.23 g/mol
- Monoisotopic mass
- 175.09971404
Names & identifiers
- Preferred name
- 4-(4-Methoxyphenyl)but-3-yn-1-amine
- IUPAC
- 4-(4-methoxyphenyl)but-3-yn-1-amine
Names & synonyms
4-(4-Methoxyphenyl)but-3-yn-1-amine918871-63-3SCHEMBL1443828CHEMBL3951751DTXSID50580983BDBM185649US9161922, Table 2, Compound?4
Database identifiers
- CAS
918871-63-3- PubChem CID
- 16005157
- DTXSID
DTXSID50580983- ChEMBL
CHEMBL3951751
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…