Basic information
- CAS
886362-64-7- Standard SMILES
O=C(O)C1CN(C(=O)OCc2ccccc2)CC1O- InChIKey
IIRYNZYKXMSCSC-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Names & identifiers
- Preferred name
- 1-N-Cbz-4-hydroxy-beta-proline
- IUPAC
- 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
- English name
- 1-N-Cbz-4-hydroxy-beta-proline
- Molecular formula
- C13H15NO5
- Molecular weight
- 265.26
Names & synonyms
1-N-Cbz-4-hydroxy-beta-prolineRefChem:434713675-736-4886362-64-7MFCD041153131-(benzyloxycarbonyl)-4-hydroxypyrrolidine-3-carboxylic acid1-[(benzyloxy)carbonyl]-4-hydroxypyrrolidine-3-carboxylic acid1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-3-carboxylic acid4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-3-carboxylicacid1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-3-carboxylic acidSCHEMBL1119158
Show more names
1-N-Cbz-4-hydroxy-β-proline1-N-CBZ-4-HYDROXY-BETA-PROLINE USP/EP/BP1-Cbz-4-hydroxypyrrolidine-3-carboxylic Acid4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-benzyl ester4-Hydroxy-1,3-pyrrolidinedicarboxylic acid 1-(phenylmethyl) ester1,3-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester
DTXSID30661406IIRYNZYKXMSCSC-UHFFFAOYSA-N4-hydroxy-1-{[(phenylmethyl)oxy]carbonyl}-3-pyrrolidinecarboxylic acidAKOS015920494AB19887AS-37221SY258034CS-0171369
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 486.876 · 486.876±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.146 · 4.146±0.40(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers22 total
成都市久鼎化学技术有限公司18584079237 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
华世药业（南京）有限公司025-57672321 13739186949 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
海蔚化学
Related reactions
5 records
Compound notes
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