Basic information
- Standard SMILES
CC(C(=O)O)C(N)C(=O)O- InChIKey
LXRUAYBIUSUULX-UHFFFAOYSA-N- Molecular formula
- C5H9NO4
- Average molar mass
- 147.13 g/mol
- Monoisotopic mass
- 147.05315777
Overview
2-Amino-3-methylsuccinic acid is a racemate.
Names & identifiers
- Preferred name
- 3-Methyl-DL-aspartic acid
- IUPAC
- 2-amino-3-methylbutanedioic acid
- English name
- 3-Methylaspartic acid
- Molecular formula
- C5H9NO4
- Molecular weight
- 147.13
Names & synonyms
6667-60-3DL-threo-beta-Methylaspartic acid3-Methyl-DL-aspartic acidDL-Aspartic acid, 3-methyl-T38VAO1ARZNSC 45365NSC-45365UNII-T38VAO1ARZ.BETA.-METHYL-DL-ASPARTIC ACIDthreo-b-methylaspartatebeta-METHYL-DL-ASPARTIC ACIDRefChem:198355
Show more names
DL-3-Me-Asp-OH3-Methylaspartic acidDL-BETA-METHYLASPARTIC ACIDDL-ALPHA-METHYLASPARTIC ACIDALPHA-METHYL-DL-ASPARTIC ACID
2-Amino-3-methylsuccinic acid2-amino-3-methylbutanedioic acidDL-3-Methylaspartic acidDL-Aspartic acid, 3-methyl3-methylaspartateMFCD00037770DL-threo-b-Methylaspartic acidAspartic acid, 3-methyl-
Database identifiers
- CAS
31571-69-4、6667-60-3- PubChem CID
- 852
- DTXSID
DTXSID601346473- ChEBI
CHEBI:229518- UNII
- T38VAO1ARZ
- Nikkaji
- J1.964.048E
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 270 · 270-276 °C
- Boiling point
- 259.2 · 259.2±30.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- powder
- pka
- 2.31 · 2.31±0.27(Predicted)
- color
- white
- optical activity
- 0.8 ° · 0.80°(C=0.01g/mL, H2O, 20°C, 589nm)
- InChI
- 1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
- InChIKey
- LXRUAYBIUSUULX-UHFFFAOYSA-N
- SMILES
- CC(C(N)C(O)=O)C(O)=O
- FDA UNII
- 38 VAO1ARZ · T38VAO1ARZ
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Amino-3-methylsuccinic acid is an aspartic acid derivative[1].
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
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Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
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Related reactions
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