Basic information
- CAS
94613-45-3- Standard SMILES
C[N+]1=CC=C(c2ccccc2)CC1- InChIKey
XQWOWMFNCZGEIT-UHFFFAOYSA-N- Molecular formula
- C12H14N+
- Average molar mass
- 172.25 g/mol
- Monoisotopic mass
- 172.11262445
Overview
RN given from Toxline; RN not in Chemline 4/85
Names & identifiers
- Preferred name
- 2,3-Dihydro-1-methyl-4-phenylpyridinium
- IUPAC
- 1-methyl-4-phenyl-2,3-dihydropyridin-1-ium
- English name
- MPDP+ perchlorate >98% (intermediate met abolite of dopamin
- Molecular formula
- C12H14N+
- Molecular weight
- 172.25
Names & synonyms
1-Methyl-4-phenyl-2,3-dihydropyridinium94613-45-3DTXSID202415542,3-Dihydro-1-methyl-4-phenylpyridiniumRefChem:908613DTXCID50164045CHEMBL2609501-methyl-4-phenyl-2,3-dihydropyridin-1-iumSCHEMBL561221CHEMBL1182689BDBM50374541Pyridinium, 2,3-dihydro-1-methyl-4-phenyl-
Show more names
MPDP+ perchlorate1-methyl-4-phenyl-2,3-dihydropyridineMPDP+ perchlorate >98% (intermediate met abolite of dopamin
Database identifiers
- CAS
94613-45-3- PubChem CID
- 150459
- DTXSID
DTXSID20241554- ChEMBL
CHEMBL1182689、CHEMBL260950- Nikkaji
- J328.486G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 1
- Complexity
- 232
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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