Dibenzyl 2-aminosuccinate
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Basic information
- CAS
4079-61-2- Standard SMILES
NC(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1- InChIKey
BQAMWLOABQRMAO-UHFFFAOYSA-N- Molecular formula
- C18H19NO4
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.13140809
Names & identifiers
- Preferred name
- Dibenzyl 2-aminosuccinate
- IUPAC
- dibenzyl 2-aminobutanedioate
- English name
- dibenzyl 2-aMinosuccinate
- Molecular formula
- C18H19NO4
- Molecular weight
- 313.35
Names & synonyms
Dibenzyl 2-aminosuccinate4079-61-2dibenzyl 2-aminobutanedioate1,4-DIBENZYL 2-AMINOBUTANEDIOATEDIBENZYL DL-ASPARTATEMFCD021148062-Aminosuccinic acid dibenzyl ester2-Amino-succinic acid dibenzyl esterDL-Aspartic acid 1,4-bisbenzyl esterDibenzyl2-aminosuccinateSCHEMBL589203CHEMBL2010408
Show more names
Dibenzyl aspartate1,4-Bis(phenylmethyl) aspartate
SCHEMBL32681189AKOS025403799AS-6426PD197253DB-050556NS00015980
Database identifiers
- CAS
4079-61-2- PubChem CID
- 353537
- ChEMBL
CHEMBL2010408- Nikkaji
- J3.744.594K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 455.3 · 455.3±40.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 5.77 · 5.77±0.33(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Related reactions
2 records
Compound notes
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