Basic information
- CAS
13257-67-5- Standard SMILES
COC(=O)C(C)(C)N- InChIKey
HMZHEECHJWHZJX-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
Names & identifiers
- Preferred name
- Methyl 2-amino-2-methylpropanoate
- IUPAC
- methyl 2-amino-2-methylpropanoate
- English name
- Alanine, 2-methyl-, methyl ester (6CI,7CI,8CI,9CI)
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
methyl 2-amino-2-methylpropanoate13257-67-5RefChem:813904866-215-4Alanine, 2-methyl-, methyl esterAlanine, 2-methyl-, methyl ester (6CI,7CI,8CI,9CI)2-amino-2-methylpropionic acid methyl esterMethyl 2-amino-2-methyl-propanoateMFCD12407415methyl 2-amino-2-methylpropionatemethyl 2-methylalaninatea-Amino-isobuttersaure-methylester
Show more names
2-Aib-OmeImpurity HA-2α-methylalanine methyl esterDL-Alanine, 2-Methyl-, Methyl ester
AKOS005264242alpha-Aminoisobutyric acid methyl ester2-amino-2-methyl-propionic acid methyl esterAlanine, 2-methyl-, methyl ester, hydrochloridemethyl alpha-aminoisobutyrate2-Aminoisobutyric acid methyl estermethyl aminoisobutyrateMethyl 2-Aminoisobutyrate
Database identifiers
- CAS
13257-67-5- PubChem CID
- 4186341
- UNII
- Y5E96GEF6B
- EC Number
- 866-215-4
- Nikkaji
- J792.936F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 98.6
Physicochemical properties
- Melting point
- 186.5 · 186.5-187 °C
- Boiling point
- 120.6 · 120.6±13.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- liquid
- pka
- 7.59 · 7.59±0.25(Predicted)
- color
- Colourless
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 225 · H225-H314
- Precautionary statements
- 210 · P210-P241-P260-P280
- HS Code
- 2920907090 · 2920907090
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- hs_code
- 2920907090
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
- Hazard statements
- H225-H314
- Precautionary statements
- P210-P241-P260-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers37 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [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]
Related reactions
78 records
Compound notes
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