Basic information
- CAS
2545-40-6- Standard SMILES
CC(=O)NC(CC(=O)O)C(=O)O- InChIKey
OTCCIMWXFLJLIA-UHFFFAOYSA-N- Molecular formula
- C6H9NO5
- Average molar mass
- 175.14 g/mol
- Monoisotopic mass
- 175.04807239
Overview
N-Acetyl-DL-aspartic acid is an aspartic acid derivative.
Names & identifiers
- Preferred name
- N-acetyl-DL-aspartic acid
- IUPAC
- 2-acetamidobutanedioic acid
- English name
- N-Acetyl-DL-aspartic acid
- Molecular formula
- C6H9NO5
- Molecular weight
- 175.14
Names & synonyms
N-Acetyl-DL-aspartic acid2545-40-62-acetamidobutanedioic acidDL-Aspartic acid, N-acetyl-Ac-AspAspartic acid, N-acetyl-, DL-EINECS 219-827-5NSC 128611RefChem:162608219-827-5OTCCIMWXFLJLIA-UHFFFAOYSA-N2-Acetamidosuccinic acid
Show more names
AC-DL-ASN-OHN-Acetyl-DL<AC-DL-ASPARTIC ACIDACETYL-DL-ASPARAGINEN-Acetyl-DL-asparticN-ACETYL-DL-ASPARAGINEN-acetyl-DL-asparticaciAspartic acid, N-acetyl-
Ac-DL-Asp-OHC6H9NO5MFCD00063183Aspartic acid, N-acetyl (R,S)2-acetamidosuccinateSMR000857232N-Acetyl-L-AsparticAcid-d3Prestwick_712
Database identifiers
- CAS
2545-40-6、997-55-7- PubChem CID
- 97508
- DTXSID
DTXSID20862506- ChEMBL
CHEMBL1162493
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Experimental & physicochemical properties
Solubility>26.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 425.3 · 425.3±35.0 °C(Predicted)
- Density
- 1.422 · 1.422±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Aqueous Acid (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.14 · 3.14±0.10(Predicted)
- color
- White to Off-White
- InChI
- 1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
- InChIKey
- OTCCIMWXFLJLIA-UHFFFAOYSA-N
- SMILES
- CC(=O)NC(CC(O)=O)C(O)=O
- CAS DataBase Reference
- 2545 · 2545-40-6(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
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
- 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
UsesN-Acetyl-DL-aspartic acid (Ac-DL-Asp-OH) is an aspartic acid derivative[1].
Upstream & downstream products
Downstream products
Suppliers61 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
1 records
Compound notes
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