Basic information
- CAS
40149-67-5- Standard SMILES
COC(=O)CC(N)C(=O)OC- InChIKey
BYHXBBOSJKPUJL-UHFFFAOYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
Names & identifiers
- Preferred name
- Dimethyl DL-aspartate
- IUPAC
- dimethyl 2-aminobutanedioate
- English name
- dimethyl DL-aspartate
- Molecular formula
- C6H11NO4
- Molecular weight
- 161.16
Names & synonyms
Dimethyl DL-aspartate40149-67-5dimethyl 2-aminobutanedioate1,4-DIMETHYL 2-AMINOBUTANEDIOATEDimethyl 2-aminosuccinateEINECS 254-813-2Aspartic acid, dimethyl esterAsparaginsauredimethylesterSCHEMBL196759SCHEMBL8939081BYHXBBOSJKPUJL-UHFFFAOYSA-NMFCD22384344
Show more names
DL-Aspartic acid dimethylAspartic acid, 1,4-dimethyl esterDL-Aspartic acid, 1,4-diMethyl esterrac-(2R*)-2-Aminosuccinic acid dimethyl ester
AKOS015997603PD196709EN300-34901
Database identifiers
- CAS
40149-67-5- PubChem CID
- 419227
- EC Number
- 254-813-2
- Nikkaji
- J1.354.043H
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 85 · 85-90 °C(Press: 0.1 Torr)
- Density
- 1.162 · 1.162±0.06 g/cm3(Predicted)
- pka
- 5.9 · 5.90±0.33(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
11 records
Compound notes
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