Basic information
- CAS
87443-64-9- Standard SMILES
c1ccc2c(c1)CCNC2C1CCCCC1- InChIKey
OMYOTQLWOQIIKW-UHFFFAOYSA-N- Molecular formula
- C15H21N
- Average molar mass
- 215.33 g/mol
- Monoisotopic mass
- 215.16739967
Names & identifiers
- Preferred name
- 1-Cyclohexyl-1,2,3,4-tetrahydro-isoquinoline
- IUPAC
- 1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline
- English name
- 1-Cyclohexyl-1,2,3,4-tetrahydro-isoquinoline
- Molecular formula
- C15H21N
- Molecular weight
- 215.33
Names & synonyms
87443-64-91-Cyclohexyl-1,2,3,4-tetrahydro-isoquinolineDTXSID40342633RefChem:229692DTXCID00293713OMYOTQLWOQIIKW-UHFFFAOYSA-N1-cyclohexyl-1,2,3,4-tetrahydroisoquinolineCHEMBL21911MFCD02179247SCHEMBL1011373SCHEMBL5175304SCHEMBL29768302
Show more names
Isoquinoline, 1-cyclohexyl-1,2,3,4-tetrahydro-
BDBM50017049AKOS013355400NS-02481DB-421541
Database identifiers
- CAS
87443-64-9- PubChem CID
- 583453
- DTXSID
DTXSID40342633- ChEMBL
CHEMBL21911- Nikkaji
- J1.263.272J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.1 Torr)
- Density
- 1.013 · 1.013±0.06 g/cm3(Predicted)
- pka
- 9.66 · 9.66±0.40(Predicted)
Chemistry & industry
Suppliers2 total
上海百韧生物科技有限公司13564638271 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
Related reactions
6 records
Compound notes
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