Basic information
- CAS
118758-50-2- Standard SMILES
O=C(O)[C@@H]1NCC[C@H]1c1ccccc1- InChIKey
VDEMEKSASUGYHM-VHSXEESVSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Names & identifiers
- Preferred name
- trans-3-Phenyl-D-proline
- IUPAC
- (2R,3S)-3-phenylpyrrolidine-2-carboxylic acid
- English name
- (2r,3s)-3-Phenylpyrrolidine-2-Carboxylic Acid
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
trans-3-Phenyl-D-proline118758-50-2(2R,3S)-3-Phenylpyrrolidine-2-carboxylic acid51212-37-4trans-3-Phenylpyrrolidine-2-carboxylic acidrac-(2R,3S)-3-phenylpyrrolidine-2-carboxylic acidMFCD15071513(3S)-3-Phenyl-D-prolineDTXSID60426262AKOS006323117AC-22414CS-0199924
Show more names
D-3-Phenylprolinetrans-3-phenyl-(R)-prolineD-Proline, 3-phenyl-, (3S)-(2r,3s)-3-Phenylpyrrolidine-2-CarboxylicAci(2r,3s)-3-Phenylpyrrolidine-2-Carboxylic Acid USP/EP/BP
(2R,3S)-3-Phenylpyrrolidine-2-carboxylicacidI81337EN300-1273054rel-(2R,3S)-3-Phenylpyrrolidine-2-carboxylic acid (H-Pro(3-Ph)-OH)
Database identifiers
- CAS
118758-50-2- PubChem CID
- 6962897
- DTXSID
DTXSID60426262
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 372.787 · 372.787±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.186 · 1.186±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.192 · 2.192±0.40(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
Upstream & downstream products
Upstream raw materials
Suppliers14 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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