(r)-n-Cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid
Basic information
- CAS
151004-88-5- Standard SMILES
O=C(O)[C@H]1c2ccccc2CCN1C(=O)OCc1ccccc1- InChIKey
ACQYZSFXPXXIHL-MRXNPFEDSA-N- Molecular formula
- C18H17NO4
- Average molar mass
- 311.3 g/mol
- Monoisotopic mass
- 311.11575802
Names & identifiers
- Preferred name
- (r)-n-Cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid
- IUPAC
- (1R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
- English name
- (R)-N-Cbz-3,4-Dihydro-1H-isoquinolinecarboxylic acid
- Molecular formula
- C18H17NO4
- Molecular weight
- 311.33
Names & synonyms
151004-88-5(r)-n-cbz-3,4-dihydro-1h-isoquinolinecarboxylic acid(R)-2-((benzyloxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid(1R)-2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid(1R)-2-[(benzyloxy)carbonyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidMFCD07782024(R)-2-(benzyloxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-1-carboxylic acidACQYZSFXPXXIHL-MRXNPFEDSA-NSCHEMBL6126724DTXSID10654573SBB063888AKOS015836812
Show more names
(R)-N-CBZ-3,4-DIHYDRO-1H-ISOQUINOLINECARBOXYLIC ACID, 97+%, 98%EE(1R)-3,4-Dihydro-1H-isoquinoline-1,2-dicarboxylic acid 2-benzyl ester2-phenylmethoxycarbonyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid1,2(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(phenylmethyl) ester, (1R)-
AKOS015889717AS-30815DB-001592CS-0357441EN300-7359543F078275(r)-n-cbz-3,4-dihydro-1h-isoquinolinecarboxylicacid(1R)-2-[benzyloxycarbonyl]-1,2,3,4-tetrahydroisoquinolinecarboxylic acid
Database identifiers
- CAS
151004-88-5- PubChem CID
- 40787014
- DTXSID
DTXSID10654573- Nikkaji
- J2.365.968I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Boiling point
- 521.6 · 521.6±50.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.47 · 3.47±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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