Basic information
- CAS
41324-66-7- Standard SMILES
O=C(OCc1ccccc1)C1CCCN1- InChIKey
VVCLBQFBKZQOAF-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
Overview
RN given refers to (L)-isomer
Names & identifiers
- Preferred name
- Proline benzyl ester
- IUPAC
- benzyl pyrrolidine-2-carboxylate
- English name
- benzyl pyrrolidine-2-carboxylate
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
Proline benzyl esterRefChem:930021benzyl pyrrolidine-2-carboxylate80089-25-4Benzyl L-prolinatedl-proline benzyl esterbenzyl prolinate hydrochloridepyrrolidine-2-carboxylic acid benzyl esterNSC-206250benzyl DL prolinatebenzyl DL-prolinateEINECS 255-314-2
Show more names
H-DL-Pro-OBn
NSC 206250MTH2QY5GZ6d,l-proline, benzyl esterProline benzyl ester, DL-Proline, phenylmethyl esterNCIOpen2_003272SCHEMBL6933512-benzyloxycarbonyl-pyrrolidine
Database identifiers
- CAS
41324-66-7、80089-25-4- PubChem CID
- 99767
- UNII
- MTH2QY5GZ6
- EC Number
- 255-314-2
- Nikkaji
- J1.351.683I
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Boiling point
- 309 · 309.0±35.0 °C(Predicted)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 8.26 · 8.26±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
62 records
Compound notes
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