Basic information
- CAS
1113-49-1- Standard SMILES
CCOC(=O)C(C)(C)N- InChIKey
DWLJKCGOCUODFL-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Names & identifiers
- Preferred name
- Alanine, 2-methyl-, ethyl ester
- IUPAC
- ethyl 2-amino-2-methylpropanoate
- English name
- ethyl 2-methylalaninate
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17292
Names & synonyms
1113-49-1Ethyl 2-methylalaninateAlanine, 2-methyl-, ethyl esterDTXSID80149587RefChem:1076286DTXCID9072078214-204-4ethyl 2-amino-2-methylpropanoate2-methylalanine ethyl esterMFCD026630282-Amino-2-methylpropionic acid ethyl esterethyl 2-aminoisobutyrate
Show more names
Alanine dimethyl esterSemaglutide Impurity 2322-methyl-Alanine ethyl ester (6CI 7CI 8CI 9CI ACI)Alanine, 2-methyl-, ethyl ester (6CI, 7CI, 8CI, 9CI, ACI)
NSC-28848Alanine, 2-methyl-, ethyl ester, hydrochlorideethyl 2-amino-2-methylpropionate2-amino-2-methylpropanoic acid ethyl esterETHYL ALPHA-AMINOISOBUTYRATEEINECS 214-204-4ethyl aminoisobutyrate2-Methyl-2-aminopropionic acid ethyl ester
Database identifiers
- CAS
1113-49-1- PubChem CID
- 70683
- DTXSID
DTXSID80149587- UNII
- TQ75HWB4YL
- EC Number
- 214-204-4
- Nikkaji
- J217.235F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- 155 · 155-157 °C
- Boiling point
- 65 · 65-72 °C(Press: 41 Torr)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- pka
- 8.15 · 8.15±0.25(Predicted)
- form
- liquid
- color
- Colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Suppliers21 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
成都海品信医药科技有限公司85114309 18982182443 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海逐耀医药科技有限公司18321033991 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
四川嘉瑛莱科技有限责任公司028-64159575 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
19 records
Compound notes
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