Basic information
- Standard SMILES
O=C(O)C1CCCN1C(=O)OCc1ccccc1- InChIKey
JXGVXCZADZNAMJ-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- N-(Carbobenzyloxy)-DL-proline
- IUPAC
- 1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
- English name
- 1-[(BENZYLOXY)CARBONYL]PYRROLIDINE-2-CARBOXYLIC ACID
- Molecular formula
- C13H15NO4
- Molecular weight
- 249.26
Names & synonyms
5618-96-2NSC-29728N-(Carbobenzyloxy)-DL-prolineZ53G7B7V5CRefChem:1091409Z-DL-Pro-OHN-Cbz-DL-proline1-[(benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid1-(benzyloxycarbonyl)pyrrolidine-2-carboxylic acidDL-Cbz-Proline1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid1-[(benzyloxy)carbonyl]proline
Show more names
Cbz-DL-ProlinePYRROLIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTERCBZ-DL-PRO
MFCD000632291-((benzyloxy)carbonyl)pyrrolidine-2-carboxylic acid3160-46-1N-Benzyloxycarbonyl-DL-proline72580-07-51-Cbz-pyrrolidine-2-carboxylic AcidZ-DL-prolineN-carbobenzoxyproline
Database identifiers
- CAS
3160-46-1、5618-96-2- PubChem CID
- 232388
- DTXSID
DTXSID201384005- ChEMBL
CHEMBL429773- UNII
- Z53G7B7V5C
- Nikkaji
- J1.515.641D、J304.874H、J304.875F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Melting point
- 101 · 101-102 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Boiling point
- 432.3 · 432.3±45.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- form
- Solid
- pka
- 3.99 · 3.99±0.20(Predicted)
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesZ-DL-Pro-OH (N-Cbz-DL-proline) is a proline derivative, can be used for the synthesis of agents or other compounds[1].
Suppliers1 total
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Related reactions
297 records
Linked notes
Loading…