Basic information
- CAS
118758-48-8- Standard SMILES
O=C([O-])[C@H]1[NH2+]CC[C@@H]1c1ccccc1- InChIKey
VDEMEKSASUGYHM-ZJUUUORDSA-N- Molecular formula
- C11H13NO2
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.09462866
Overview
See also: (3R)-3-Phenyl-L-proline (preferred).
Names & identifiers
- Preferred name
- (2S,3R)-3-phenylpyrrolidin-1-ium-2-carboxylate
- IUPAC
- (2S,3R)-3-phenylpyrrolidin-1-ium-2-carboxylate
- English name
- (2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid
- Molecular formula
- C11H13NO2
- Molecular weight
- 191.23
Names & synonyms
(2S,3R)-3-phenyL3-Phenyl-D-proline3-Phenyl-L-Prolinerans-3-Phenyl-L-proline(3R)-3-Phenyl-L-prolinetrans-3-phenyl-l-prolineL-Proline, 3-phenyl-, (3R)-(2S)-3-phenylpyrrolidine-2-carboxylic acid(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid(2S,3R)-(+)-3-Phenylpyrrolidone-2-carboxylic acid
Database identifiers
- CAS
118758-48-8- PubChem CID
- 40506830
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 234 · 234-236 °C
- Boiling point
- 326.97 °C · 326.97°C (rough estimate)
- Density
- 1.1258 · 1.1258 (rough estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- Powder
- pka
- 2.19 · 2.19±0.40(Predicted)
- color
- White to off-white
- CAS DataBase Reference
- 118758 · 118758-48-8
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-22
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
- hs_code
- 29339980
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 37/39-26
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses3-Phenylon-L-proline is an amino acid derivative that can be used in biochemical engineering.
Upstream & downstream products
Upstream raw materials
Suppliers57 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
上海隆盛化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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