Basic information
- CAS
23824-33-1- Standard SMILES
CC(C)COC(=O)C1NCC(O)c2cc(O)ccc21- InChIKey
CFWZZSMSRRLHCB-UHFFFAOYSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
- Monoisotopic mass
- 265.13140809
Names & identifiers
- Preferred name
- 1-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-4,6-dihydroxy-, isobutyl ester
- IUPAC
- 2-methylpropyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
- English name
- 1,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylic acid isobutyl ester
- Molecular formula
- C14H19NO4
- Molecular weight
- 265.3
Names & synonyms
23824-33-11-ISOQUINOLINECARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-4,6-DIHYDROXY-, ISOBUTYL ESTERRefChem:10556714,6-Dihydroxy-1,2,3,4-tetrahydro-1-isoquinolinecarboxylic acid isobutyl esterBRN 04890512-methylpropyl 4,6-dihydroxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylate1-Isoquinolinecarboxylic acid, 4,6-dihydroxy-1,2,3,4-tetrahydro-, isobutyl esterDTXSID909466251,2,3,4-Tetrahydro-4,6-dihydroxy-1-isoquinolinecarboxylic acid isobutyl ester
Database identifiers
- CAS
23824-33-1- PubChem CID
- 32107
- DTXSID
DTXSID90946625- Nikkaji
- J41.120E
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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