Basic information
- CAS
129704-91-2- Standard SMILES
C=CC[C@]1(C(=O)O)CCCN1.Cl- InChIKey
DIYYEOOBZVTROL-DDWIOCJRSA-N- Molecular formula
- C8H14ClNO2
- Average molar mass
- 191.65 g/mol
- Monoisotopic mass
- 191.0713064
Names & identifiers
- Preferred name
- (S)-alpha-Allyl-proline hydrochloride
- IUPAC
- (2S)-2-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride
- English name
- (S)--ALLYL-PROLINE HYDROCHLORIDE
- Molecular formula
- C8H13NO2.ClH
- Molecular weight
- 191.66
Names & synonyms
129704-91-2(S)-alpha-Allyl-proline hydrochloride(S)-2-allylpyrrolidine-2-carboxylic acid hydrochlorideMFCD06659238(S)-Alpha-allyl-proline, HCl(S)--ALLYL-PROLINE HYDROCHLORIDE(2S)-2-prop-2-enylpyrrolidine-2-carboxylic acid;hydrochloride(2S)-2-allylpyrrolidine-2-carboxylic acid hydrochloride(S)-a-Allylproline.hcl(S)-alpha-allyl-proline-HCl(2S)-2-allylpyrrolidine-2-carboxylic acid;hydrochloride(S)-|A-Allyl-proline hydrochloride
Show more names
(S)-Alpha-Allyl-ProHCl(S)-a-Allylproline·HCl(S)-α-Allyl-proline·HCl2-Allyl-D-proline hydrochlorideα-allyl-d-proline hydrochloride(s)-α-allyl-proline hydrochloride(S)-α-Allyl-proline hydrochloride(2S)-2-allylpyrrolidine-2-carboxylic acidD-Proline, 2-(2-propenyl)-, hydrochloride (9CI)
(S)-alpha-AllylprolineA.HCl(S)-alpha-Allyl-Pro-OH HClorb3144476CS-M0476TYD-03817AKOS006346492CS-14472SY255729
Properties
Computed structural properties
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 186 · 186-190 °C
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- powder or crystals
- color
- off-white to brown
- Major Application
- peptide synthesis
- InChI
- InChI=1/C8H13NO2.ClH/c1-2-4-8(7(10)11)5-3-6-9-8;/h2,9H,1,3-6H2,(H,10,11);1H/t8-;/s3
- InChIKey
- DIYYEOOBZVTROL-DDWIOCJRSA-N
- SMILES
- C(O)(=O)[C@]1(CCCN1)CC=C.Cl |&1:3,r|
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- 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
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
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
- F
- 1-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-Alpha-allyl-proline Hydrochloride is used in the synthesis of Avrainvillamide and Stephacidins, analogs of these natural products are evaluated as anticancer agents.
Suppliers33 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海嘉莱多生物技术有限责任公司021-61732478 19946252459 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海泰坦科技股份有限公司4006009262 13023226327 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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