Basic information
- CAS
121772-98-3- Standard SMILES
C=CC[C@@]1(C(=O)[O-])CCC[NH2+]1- InChIKey
WRBBRKMXTLLAOB-QMMMGPOBSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
- Monoisotopic mass
- 155.09462866
Overview
See also: (R)-2-Allylproline (preferred).
Names & identifiers
- Preferred name
- CID 7145643
- IUPAC
- (2R)-2-prop-2-enylpyrrolidin-1-ium-2-carboxylate
- English name
- L-Proline, 2-(2-propenyl)- (9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
Proline Impurity 65L-Proline, 2-(2-propen-1-yl)-L-Proline, 2-(2-propenyl)- (9CI)(R)-2-ALLYLPYRROLIDINE-2-CARBOXYLIC ACID
Database identifiers
- CAS
121772-98-3- PubChem CID
- 7145643
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 250 · 250-260 °C (decomp)
- Boiling point
- 269.9 · 269.9±33.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
海杰亚（成都）医药科技有限公司028-84502008 13568869383 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
滨海吉尔多肽有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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