Basic information
- CAS
1745-06-8- Standard SMILES
COc1cc2c(c(OC)c1OC)CCNC2- InChIKey
HMJWNMXNHQIAGT-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 5,6,7-Trimethoxy-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 5,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinoline
Names & synonyms
1745-06-85,6,7-trimethoxy-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-5,6,7-trimethoxy-NSC 113005nortehuanineNCIOpen2_005606SCHEMBL27975495DTXSID20296983HMJWNMXNHQIAGT-UHFFFAOYSA-NNSC113005AKOS004901636NSC-113005
Show more names
DS-011313EN300-7537473Z368591468ISOQUINOLINE,1,2,3,4-TETRAHYDRO-5,6,7-TRIMETHOXY-
Database identifiers
- CAS
1745-06-8- PubChem CID
- 270529
- DTXSID
DTXSID20296983- Nikkaji
- J1.032.805E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Related reactions
3 records
Compound notes
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