기본 정보
- 표준 SMILES
NC(=O)C(=O)O- InChIKey
SOWBFZRMHSNYGE-UHFFFAOYSA-N- 분자식
- C2H3NO3
- 평균 분자량
- 89.05 g/mol
- 단동위원소 질량
- 89.01129296
개요
Oxamic acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an oxamate.
이름 및 식별자
- 우선 이름
- Oxamic Acid
- IUPAC
- oxamic acid
- 영어명
- Oxamic acid
- 분자식
- C2H3NO3
- 분자량
- 89.05
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
471-47-6、66257-53-2- PubChem CID
- 974
- DTXSID
DTXSID6060052- ChEMBL
CHEMBL15976- ChEBI
CHEBI:18058- UNII
- QU60N5OPLG
- EC Number
- 207-443-0
- Nikkaji
- J5.942K
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 80.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 86.8
실험 및 물리화학적 성질
Pesticides
Pesticides -> Insect Repellents
Environmental transformation -> Pesticide transformation products (metabolite, successor)
물리화학적 성질
- 녹는점
- 207 · 207-210 °C (dec.) (lit.)
- 끓는 점
- 165.08 °C · 165.08°C (rough estimate)
- 밀도
- 1.6193 · 1.6193 (rough estimate)
- 굴절률
- 1.4264 · 1.4264 (estimate)
- 저장 조건
- 2 · 2-8°C(protect from light)
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(약간 용해됨)
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 1.6 · 1.60±0.20(Predicted)
- 색상
- 하얀색
- 수용성
- 108 mg/mL에 · 물 108mg/mL에 용해됩니다.
- Merck
- 14 · 14,6917
- BRN
- 1743294 · 1743294
- InChI
- InChI=1S/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
- InChIKey
- SOWBFZRMHSNYGE-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(N)=O
- EPA
- Oxamic acid (471-47-6)
화학적 성질
Oxamic acid is a white, water-soluble solid. It is the monoamide ofoxalic acid. It can react with metal carbonates to form oxamate. Oxamic acid inhibits lactate dehydrogenase A.
안전 및 규제
GHS 분류
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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazards Summary
See Oxamic acid.
A skin and strong eye irritant; [Alfa Aesar MSDS] See Oxamide. See Acetic acid.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29241990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
개요Oxamic acids also known to as oxalic acid monoamides have emerged as potent precursors for the generation of the carbamoyl radical. Oxamic acids can easily undergo decarboxylation through a single electron oxidation resulting in the generation of the reactive carbamoyl radical, which can then engage in diverse radical reactions or undergo a second single electron oxidation as originally unveiled by Minisci. Oxamic acids are thus versatile intermediates for the synthesis of nitrogen-containing organic molecules[1]. The oxidative decarboxylation of oxamic acids can be mediated through thermal, photochemical, electrochemical or photoelectrochemical means, generating carbamoyl radicals, which may further add to unsaturated systems to provide a broad range of important amides. Oxidative decarboxylation of oxamic acids also offers a straightforward entry for the preparation of urethanes, ureas, and thioureas.
용도Oxamic acid is an ozone oxidation product and is used in the synthesis of hydroxybenzimidazoles preparation as potential anti tumor agents targeting human lactate dehydrogenase A.This compound is suitable for lactate dehydrogenase (LDH) related research.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: Oxamic acid is a dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. It has a role as an Escherichia coli metabolite. It is a conjugate acid of an oxamate.
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