Basic information
- CAS
38906-61-5- Standard SMILES
C#CCC1(c2cccc(OC)c2)CCN(C)C1- InChIKey
FCBNMMBVJJVEJQ-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- 3-(3-Methoxyphenyl)-1-methyl-3-(prop-2-yn-1-yl)pyrrolidine
- IUPAC
- 3-(3-methoxyphenyl)-1-methyl-3-prop-2-ynylpyrrolidine
- English name
- Pyrrolidine, 3-(m-methoxyphenyl)-1-methyl-3-(2-propynyl)-
- Molecular weight
- 0
Names & synonyms
38906-61-53-(3-methoxyphenyl)-1-methyl-3-(prop-2-yn-1-yl)pyrrolidineDTXSID90959679RefChem:1066717DTXCID501387553BRN 15351093-(m-Methoxyphenyl)-1-methyl-3-(2-propynyl)pyrrolidinePyrrolidine, 3-(m-methoxyphenyl)-1-methyl-3-(2-propynyl)-5-21-03-00411 (Beilstein Handbook Reference)3-(3-Methoxyphenyl)-1-methyl-3-(2-propynyl)pyrrolidine
Database identifiers
- CAS
38906-61-5- PubChem CID
- 217422
- DTXSID
DTXSID90959679- Nikkaji
- J51.451I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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