Basic information
- CAS
26629-33-4- Standard SMILES
COC(=O)C(C)NC(C)=O- InChIKey
FQGVVDYNRHNTCK-UHFFFAOYSA-N- Molecular formula
- C6H11NO3
- Average molar mass
- 145.16 g/mol
Names & identifiers
- Preferred name
- Methyl 2-acetamidopropanoate
- IUPAC
- methyl 2-acetamidopropanoate
- English name
- 2-Acetamidopropionic acid methyl ester
- Molecular formula
- C6H11NO3
- Molecular weight
- 145.16
Names & synonyms
methyl 2-acetamidopropanoate26629-33-4Methyl 2-Acetamidopropionate2-Acetamidopropionic Acid Methyl EsterMFCD01631289Acetyl-L-alanine methyl estermethyl 2-(acetylamino)propanoatemethyl2-acetamidopropanoateAcetyl-D-alanine methyl esterDTXSID60949461acetamidopropionic acid methyl esterN-Acetyl-D-alanine methyl ester
Show more names
)-alaninateMethyl N-acetyl-(±METHYL 2-ACETAMIDOPROPIONATEMethyl 2-Acetamidopropionate >N-ACETYL-DL-ALANINE METHYL ESTERAlanine, N-acetyl-, methyl esteracetamidopropionicacidmethylesterMethyl N-acetyl-(.+/-.)-alaninate
L-Alanine, N-acetyl-, methyl ester2-ACETAMIDOPROPANOIC ACID METHYL ESTERN-Acetyl-DL-alanine Methyl Estermethyl acetylalaninateDL-Alanine, N-acetyl-, methyl esterAlanine, N-acetyl-, methyl ester, DL-FT-0655958A818526
Database identifiers
- CAS
26629-33-4- PubChem CID
- 520278
- DTXSID
DTXSID60949461- Nikkaji
- J366.937H
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 144
Physicochemical properties
- Melting point
- 44 to · 44.0 to 49.0 °C
- Boiling point
- 76 °C · 76 °C(Press: 0.2 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 14.78 · 14.78±0.46(Predicted)
- color
- White to Almost white
- optical activity
- Consistent with structure
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety data
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers43 total
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Related reactions
10 records
Compound notes
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