Basic information
- CAS
60169-72-4- Standard SMILES
O=C(O)C1CCCN1Cc1ccccc1- InChIKey
XNROFTAJEGCDCT-UHFFFAOYSA-N- Molecular formula
- C12H15NO2
- Average molar mass
- 205.25 g/mol
Names & identifiers
- Preferred name
- N-Benzyl-DL-proline
- IUPAC
- 1-benzylpyrrolidine-2-carboxylic acid
- English name
- 1-N-Benzyl-proline
- Molecular formula
- C12H15NO2
- Molecular weight
- 205.25
Names & synonyms
60169-72-4N-benzyl-dl-prolinePJQ2R5YFY7RefChem:10916001-benzylpyrrolidine-2-carboxylic acid1-Benzylproline1-Benzyl-pyrrolidine-2-carboxylic acidBenzylproline1-n-benzyl-prolineDL-N-BenzylprolineMFCD00187622Proline, 1-(phenylmethyl)-
Show more names
(2S)-1-(benzyl)proline1-N-BENZYL-PROLINE USP/EP/BP1-benzylproline(SALTDATA: HCl)
1-(Phenylmethyl)prolinebzl-pro-ohdl-Proline, 1-(phenylmethyl)-N-benzylproline1-(Phenylmethyl)-DL-proline1-Benzylproline #Bzl-DL-Pro-OHN-DL-Bzl-Pro-OH
Database identifiers
- CAS
60169-72-4- PubChem CID
- 562952
- UNII
- PJQ2R5YFY7
- Nikkaji
- J1.619.995H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 170 · 170-170.5 °C
- Boiling point
- 343.1 · 343.1±35.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.35 · 2.35±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
Safety & regulation
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405
Chemistry & industry
Suppliers34 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
常州稀亚生物科技有限公司13775267187
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
10 records
Compound notes
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