Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
Basic information
- CAS
105-71-5- Standard SMILES
COC(=O)CCN(C)CCC(=O)OC- InChIKey
TYINRDVTTNNFKL-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
- IUPAC
- methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate
- English name
- methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate
- Molecular formula
- C9H17NO4
- Molecular weight
- 203.23558
Names & synonyms
105-71-5Methyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninatemethyl 3-[(3-methoxy-3-oxopropyl)(methyl)amino]propanoatedimethyl 3,3'-(methylazanediyl)dipropanoateDomperidone Impurity 24MFCD00466506methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoatedimethyl 3,3'-(methylazanediyl)dipropionateN,N-Bis(-methoxycarbonylethyl)methylaminen-(3-methoxy-3-oxopropyl)-n-methyl-beta-alanine methyl esterTYINRDVTTNNFKL-UHFFFAOYSA-N4SZH4W866W
Show more names
Ibandronate Impurity 25N,N-BIS(B-METHOXYCARBONYLETHYL)METHYLAMINE3,3'-Methylimino-di-propionsaeure-dimethylester3,3'-(Methylimino)bispropionic acid dimethyl ester3,3'-(Methylimino)bis(propionic acid methyl) ester3,3'-(Methylimino)-dipropionic acid dimethyl ester
orb3175812SCHEMBL5788270CHEMBL1621550CH3N(CH2CH2CO2CH3)2DTXSID801019004AAA10571EINECS 203-324-2STL371259
Database identifiers
- CAS
105-71-5- PubChem CID
- 66925
- DTXSID
DTXSID801019004- ChEMBL
CHEMBL1621550- UNII
- 4SZH4W866W
- EC Number
- 203-324-2
- Nikkaji
- J182.199G
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesMethyl N-(3-methoxy-3-oxopropyl)-N-methyl-beta-alaninate is an intermediate of benzothiazide.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
1 records
Compound notes
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