Basic information
- CAS
28057-52-5- Standard SMILES
NC(=O)[C@@H](N)CC(=O)O- InChIKey
PMLJIHNCYNOQEQ-REOHCLBHSA-N- Molecular formula
- C4H8N2O3
- Average molar mass
- 132.12 g/mol
- Monoisotopic mass
- 132.05349212
Overview
L-aspartic 1-amide is an aspartic 1-amide and a L-aspartic acid derivative. It is an enantiomer of a D-aspartic 1-amide.
Names & identifiers
- Preferred name
- Isoasparagine
- IUPAC
- (3S)-3,4-diamino-4-oxobutanoic acid
- English name
- H-Asp-NH2 H2O
- Molecular formula
- C4H8N2O3
- Molecular weight
- 132.12
Names & synonyms
28057-52-5l-IsoasparagineIsoasparagineL-aspartic acid 1-amideButanoic acid, 3,4-diamino-4-oxo-, (3S)-Succinamic acid, 3-amino-, L-L9ANT46A26RefChem:1087511H-Asp-NH2H-ASP-NH2 H2O(3S)-3,4-diamino-4-oxobutanoic acidL-alpha-asparagine
Show more names
Asp-NH2L-ASP-NH2H-ISOASN-OHH-ISOASN-OH H2OASPARTIC ACID-NH2
Aspartic acid alpha-amideL-aspartic 1-amide(S)-3,4-Diamino-4-oxobutanoic acid(3S)-3-amino-3-carbamoylpropanoic acidH-Asp-NHL-Aspartic acid amideH-Isoasn-OH;L-Isoasparagineisoaspargine
Database identifiers
- CAS
28057-52-5- PubChem CID
- 7015702
- DTXSID
DTXSID101365765- ChEBI
CHEBI:21248- UNII
- L9ANT46A26
- EC Number
- 196-991-3
- Nikkaji
- J88.541J
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 404.4 · 404.4±40.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 1 · pK1:2.97(+1);pK2:8.02(0) (25°C)
- FDA UNII
- 9 ANT46A26 · L9ANT46A26
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
Safety & regulation
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州希辰曦生物科技有限公司13000000000 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Additional notes
DefinitionChEBI: L-aspartic 1-amide is an aspartic 1-amide and a L-aspartic acid derivative. It is an enantiomer of a D-aspartic 1-amide.
Related reactions
12 records
Compound notes
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