Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-
Basic information
- CAS
54893-54-8- Standard SMILES
COc1ccc2c(c1)CCN(C)C2- InChIKey
FXCIEQJPMSJEII-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4-tetrahydro-6-methoxy-2-methyl-
- IUPAC
- 6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
- English name
- 6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
54893-54-81,2,3,4-Tetrahydro-6-methoxy-2-methylisoquinolineBRN 0132986ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-6-METHOXY-2-METHYL-DTXSID502033825-21-02-00327 (Beilstein Handbook Reference)RefChem:349950DTXCID501258736-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolineMFCD01717130CHEMBL4075463
Show more names
SCHEMBL14340583SCHEMBL29515933BDBM50270375AKOS025149795DB-328704CS-0453656F14520F529584
Database identifiers
- CAS
54893-54-8- PubChem CID
- 41221
- DTXSID
DTXSID50203382- ChEMBL
CHEMBL4075463- Nikkaji
- J690.644C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 267.1 · 267.1±40.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 8.55 · 8.55±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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