Basic information
- CAS
1008517-84-7- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(I)ccc2C1- InChIKey
PGOBTROTHMDANQ-UHFFFAOYSA-N- Molecular formula
- C14H18INO2
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 359.03822682
Names & identifiers
- Preferred name
- tert-Butyl 6-iodo-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- tert-butyl 6-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate
- English name
- N-BOC-6-IODO-3,4-DIHYDROISOQUINOLINE
- Molecular formula
- C14H18INO2
- Molecular weight
- 359.2
Names & synonyms
1008517-84-7N-BOC-6-IODO-3,4-DIHYDROISOQUINOLINEtert-Butyl 6-iodo-3,4-dihydroisoquinoline-2(1H)-carboxylatetert-butyl 6-iodo-3,4-dihydro-1H-isoquinoline-2-carboxylate2-Boc-6-iodo-1,2,3,4-tetrahydroisoquinolineMFCD12408121SCHEMBL1365225DTXSID70736208PGOBTROTHMDANQ-UHFFFAOYSA-NAKOS0272532502(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-6-iodo-, 1,1-dimethylethyl esterAS-37952
Show more names
CS-0171766F303194tert-Butyl6-iodo-3,4-dihydroisoquinoline-2(1H)-carboxylate6-Iodo-3,4-dihydro-1H-isoquinoline-2-carboxylic Acid Tert-Butyl Ester
Database identifiers
- CAS
1008517-84-7- PubChem CID
- 67006753
- DTXSID
DTXSID70736208
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 392.3 · 392.3±42.0 °C(Predicted)
- Density
- 1.518 · 1.518±0.06 g/cm3(Predicted)
- pka
- -1.57 · -1.57±0.20(Predicted)
Chemistry & industry
Suppliers1 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
3 records
Compound notes
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