Basic information
- Standard SMILES
CNCC(=O)OC- InChIKey
VXGABWCSZZWXPC-UHFFFAOYSA-N- Molecular formula
- C4H9NO2
- Average molar mass
- 103.12 g/mol
- Monoisotopic mass
- 103.06332853
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Sarcosine methyl ester
- IUPAC
- methyl 2-(methylamino)acetate
- English name
- sarcosine methyl ester
- Molecular formula
- C4H9NO2
- Molecular weight
- 103.12
Names & synonyms
5473-12-1Sarcosine methyl esterGlycine, N-methyl-, methyl esterI682U0A29DRefChem:818075methyl 2-(methylamino)acetateMethyl methylglycinateH-Sar-Omen-methylglycine methyl esterMethyl sarcosinatemethyl n-methylglycinatemethyl (methylamino)acetate
Show more names
NSC-29650MFCD00597221NSC29650sarcosine methylesterH2N-Sar-OMemethyl(methylamino)acetateSCHEMBL208588SCHEMBL363759
Database identifiers
- CAS
5473-12-1- PubChem CID
- 83545
- DTXSID
DTXSID60970053- UNII
- I682U0A29D
- EC Number
- 106-783-6
- Nikkaji
- J239.026D
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Physicochemical properties
- Boiling point
- 118.9 · 118.9±23.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- pka
- 7.44 · 7.44±0.10(Predicted)
- FDA UNII
- 682 U0A29D · I682U0A29D
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
UsesMethyl (Methylamino)acetate is used in preparation of Spiro compounds as an Acetyl-CoA Carboxylase inhibitor or treating diseases associated with ACC activity. Also, used in preparation of Nitroxoline derivatives for treatment of infection and cancer.
Upstream & downstream products
Downstream products
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
Related reactions
45 records
Linked notes
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