Basic information
- CAS
57928-05-9- Standard SMILES
CCCN1CCc2ccccc2C1- InChIKey
CCIQJYJAIYBYEU-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.13609955
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-2-propyl-
- IUPAC
- 2-propyl-3,4-dihydro-1H-isoquinoline
Names & synonyms
BRN 0143662ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-2-PROPYL-57928-05-91,2,3,4-Tetrahydro-2-propylisoquinolineDTXSID502066315-20-06-00322 (Beilstein Handbook Reference)RefChem:349934DTXCID801291222-Propyl-1,2,3,4-tetrahydroisoquinolineSCHEMBL95301SCHEMBL3246920SCHEMBL6787188
Database identifiers
- CAS
57928-05-9- PubChem CID
- 42365
- DTXSID
DTXSID50206631- Nikkaji
- J1.372.044D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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