Basic information
- CAS
2703746-30-7- Standard SMILES
COc1ccc2c(c1)CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O- InChIKey
QHFHNJLLHDVVPW-CYBMUJFWSA-N- Molecular formula
- C16H21NO5
- Average molar mass
- 307.34 g/mol
Names & identifiers
- Preferred name
- (R)-2-(tert-Butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
- IUPAC
- (1R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
- English name
- 1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester, (1R)-
- Molecular formula
- C16H21NO5
- Molecular weight
- 307.34
Names & synonyms
(R)-2-(tert-Butoxycarbonyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid2703746-30-7MFCD34165732starbld0045149BS-46899F74656F864953(R)-2-Boc-6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carboxylic Acid(1R)-2-tert-butoxycarbonyl-6-methoxy-3,4-dihydro-1H-isoquinoline-1-carboxylic acid(1R)-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester, (1R)-
Database identifiers
- CAS
2703746-30-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 475.4 · 475.4±45.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers3 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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