Basic information
- CAS
4033-40-3- Standard SMILES
CC(=O)N[C@@H](CC(N)=O)C(=O)O- InChIKey
HXFOXFJUNFFYMO-BYPYZUCNSA-N- Molecular formula
- C6H10N2O4
- Average molar mass
- 174.15 g/mol
- Monoisotopic mass
- 174.0640568
Overview
N-alpha-acetyl-L-asparagine is an asparagine derivative.
Names & identifiers
- Preferred name
- N-Acetylasparagine
- IUPAC
- (2S)-2-acetamido-4-amino-4-oxobutanoic acid
- English name
- N-Acetyl-L-asparagine
- Molecular formula
- C6H10N2O4
- Molecular weight
- 174.15
Names & synonyms
4033-40-3N-AcetylasparagineN-Acetyl-L-asparagine(2S)-3-carbamoyl-2-acetamidopropanoic acidD0P42N84Z6NSC-186895RefChem:828901223-716-7(S)-2-Acetamido-4-amino-4-oxobutanoic acidN2-Acetyl-L-asparagineAC-ASN-OH(2S)-2-acetamido-4-amino-4-oxobutanoic acid
Show more names
Nsc186895Ac-L-Asn-OHN-Acetyl-Asn-OHN-Acetyl-L-asparaginNA-ACETYL-L-ASPARAGINENα-Acetyl-L-asparagine
MFCD00066023Acetyl-L-asparagineN|A-Acetyl-L-asparaginen-alpha-acetyl-l-asparagineAsparagine, N2-acetyl-(S)-2-Acetamido-4-amino-4-oxobutanoicacidN??-Acetyl-L-asparagineacetylasparagine
Database identifiers
- CAS
4033-40-3- PubChem CID
- 99715
- DTXSID
DTXSID401035921- ChEMBL
CHEMBL4778641- ChEBI
CHEBI:139582
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
LogP-2.60
Physical DescriptionSolid
Collision Cross Section
137.87 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
137.4 Ų [M-H]-
Physicochemical properties
- Melting point
- 168 · 168-170 °C
- Boiling point
- 588.7 · 588.7±45.0 °C(Predicted)
- alpha
- 20 · [α]D20 -2~+2° (c=1, H2O)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Acetic Acid (Slightly, Heated, Sonicated), DMSO (Slightly), Water (Slightly, Heated)
- form
- Solid
- pka
- 3.45 · 3.45±0.10(Predicted)
- color
- White to Off-White
- BRN
- 1726196 · 1726196
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesN2-Acetyl-L-asparagine is a reagent in the synthesis of three mer peptide pENW (pGlu-Asn-Trp) derivatives as antiplatelet aggregation pharmaceuticals.
Suppliers55 total
北京华美互利生物化工010-56205725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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