1,4-Dimethyl-3,4-dihydroisoquinoline
Basic information
- CAS
59261-37-9- Standard SMILES
CC1=NCC(C)c2ccccc21- InChIKey
BEGGTDKXWFOTME-UHFFFAOYSA-N- Molecular formula
- C11H13N
- Average molar mass
- 159.23 g/mol
- Monoisotopic mass
- 159.10479942
Names & identifiers
- Preferred name
- 1,4-Dimethyl-3,4-dihydroisoquinoline
- IUPAC
- 1,4-dimethyl-3,4-dihydroisoquinoline
- English name
- 1,4-Dimethyl-3,4-dihydro-isoquinoline
- Molecular formula
- C11H13N
- Molecular weight
- 159.23
Names & synonyms
1,4-dimethyl-3,4-dihydroisoquinoline59261-37-91,4-DIMETHYL-3,4-DIHYDRO-ISOQUINOLINEMLS003115439NSC272275CHEMBL4296912DTXSID80313549AKOS006327878NSC-272275SMR001831015Isoquinoline, 3,4-dihydro-1,4-dimethyl-
Database identifiers
- CAS
59261-37-9- PubChem CID
- 321435
- DTXSID
DTXSID80313549- ChEMBL
CHEMBL4296912
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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