Basic information
- CAS
2812-46-6- Standard SMILES
CC(C)(C)OC(=O)C1CCCN1- InChIKey
XJJBXZIKXFOMLP-UHFFFAOYSA-N- Molecular formula
- C9H17NO2
- Average molar mass
- 171.24 g/mol
- Monoisotopic mass
- 171.12592879
Names & identifiers
- Preferred name
- tert-butyl L-prolinate
- IUPAC
- tert-butyl pyrrolidine-2-carboxylate
- English name
- H-Pro-OtBu
- Molecular formula
- C9H17NO2
- Molecular weight
- 171.24
Names & synonyms
tert-Butyl L-prolinateRefChem:1099580220-558-0tert-butyl pyrrolidine-2-carboxylatetert-butyl prolinate113131-45-6MFCD12766679pyrrolidine-2-carboxylic acid tert-butyl esterProline1,1-diMethylethylesterSCHEMBL248746SCHEMBL1901073SCHEMBL3664438
Show more names
L-Pro-OtBuL-PROLINE TERT-BUTYL ESTERL-Proline t-butyl ester, >=98%(S)-tert-Butyl pyrrolidine-2-carboxylatetert-Butyl (2S)-pyrrolidine-2-carboxylatePro-OtbuH-Pro-OtBuPROLINE-OTBU
SCHEMBL10419729SCHEMBL16538455SCHEMBL20766890DTXSID40950858XJJBXZIKXFOMLP-UHFFFAOYSA-Ntert-butylpyrrolidine-2-carboxylateEINECS 220-558-0AKOS010135091
Database identifiers
- CAS
2812-46-6- PubChem CID
- 102884
- DTXSID
DTXSID40950858- EC Number
- 220-558-0
- Nikkaji
- J1.154.287E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 98 · 98-103°C
- Boiling point
- 219.2 · 219.2±33.0 °C(Predicted)
- Density
- 0.995 · 0.995±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
- pka
- 8.32 · 8.32±0.10(Predicted)
- color
- Colorless to pale yellow
- optical activity
- Consistent with structure
- InChI
- InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3/t7-/m0/s1
- InChIKey
- XJJBXZIKXFOMLP-ZETCQYMHSA-N
- SMILES
- C(OC(C)(C)C)(=O)[C@@H]1CCCN1
- CAS DataBase Reference
- 2812 · 2812-46-6(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
Safety & regulation
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Applications
UsesL-Proline tert-Butyl Ester is a tert-Butyl ester of L-Proline (P755995) which is an amino acid and precursor (with vitamin C) for collagen, the building block of the structure of tendons, ligaments, arteries, veins and muscles. It is important in wound healing.
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
重庆禾栩科技有限公司19912419763 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Related reactions
30 records
Compound notes
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