Basic information
- CAS
21277-16-7- Standard SMILES
O=C1NCC(C(=O)O)N1- InChIKey
KZKRPYCBSZIQKN-UHFFFAOYSA-N- Molecular formula
- C4H6N2O3
- Average molar mass
- 130.1 g/mol
Overview
2-Imidazolidone-4-carboxylic acid is this compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. It is a monocarboxylic acid, a member of ureas and an imidazolidinone. It is functionally related to an alpha-amino acid.
Names & identifiers
- Preferred name
- 2-Oxo-4-imidazolinecarboxylic acid
- IUPAC
- 2-oxoimidazolidine-4-carboxylic acid
- English name
- 2-oxo-4-imidazolinecarboxylic acid
- Molecular formula
- C4H6N2O3
- Molecular weight
- 130.1
Names & synonyms
2-Oxo-4-imidazolidinecarboxylic acid2-Oxo-4-imidazolinecarboxylic acidEINECS 244-309-0RefChem:477743244-309-02-oxoimidazolidine-4-carboxylic acid21277-16-72-Imidazolidone-4-carboxylic acidMFCD000052582-Oxoimidazolidine-4-carboxylicAcid4-Imidazolidinecarboxylic acid, 2-oxo-CHEMBL30805
Show more names
2-oxo-4(R)-imidazolidine carboxylic acid4-Imidazolidinecarboxylic acid, 2-oxo-2-oxoimidazolidine-4-carboxylic acid
SCHEMBL873651SCHEMBL5855520DTXSID40943780CHEBI:143539PIA76715RBA37153WAA277162-Oxo-imidazolidine-4-carboxylic acid
Database identifiers
- CAS
21277-16-7- PubChem CID
- 89477
- DTXSID
DTXSID40943780- ChEMBL
CHEMBL30805- ChEBI
CHEBI:143539- EC Number
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- Boiling point
- 570.8 · 570.8±43.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 3.98 · 3.98±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933299090 · 2933299090
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers22 total
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海铱鑫医药科技有限公司13671725141 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
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 13913916777 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
Related reactions
8 records
Compound notes
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