기본 정보
- 표준 SMILES
NC(=O)CI- InChIKey
PGLTVOMIXTUURA-UHFFFAOYSA-N- 분자식
- C2H4INO
- 평균 분자량
- 184.96 g/mol
- 단동위원소 질량
- 184.93376175
개요
Iodoacetamide is a sulfhydryl alkylating reagent that forms covalent bonds with the thiol group of cysteines so the protein or peptide no longer forms disulfide bonds.
이름 및 식별자
- 우선 이름
- Iodoacetamide
- IUPAC
- 2-iodoacetamide
- 현지명
- 2-요오드아세트아미드
- 영어명
- 2-Iodoacetamide
- 분자식
- C2H4INO
- 분자량
- 184.96
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
144-48-9- PubChem CID
- 3727
- DTXSID
DTXSID9020742- ChEMBL
CHEMBL276727- UNII
- ZRH8M27S79
- EC Number
- 205-630-1
- Nikkaji
- J3.270K
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 44.9
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 92 · 92-95 °C(lit.)
- 끓는 점
- 297.1 · 297.1±23.0 °C(Predicted)
- 밀도
- 2.1103 · 2.1103 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 물, 디메틸 포름아미드 및 에탄올에 용해됩니다. 메탄올에 약간 용해됩니다.
- 물리적 상태
- 수정 같은
- 산도 계수 (pKa)
- 15.16 · 15.16±0.40(Predicted)
- 색상
- 흰색에서 연한 노란색 또는 베이지색
- 생물학적 소스
- synthetic (organic)
- 수용성
- 2 O: · H2O: 20°C에서 0.5M, 투명, 무색
- BRN
- 1739080 · 1739080
- 안정성
- 안정적이지만 빛에 민감합니다. 강산화제, 강염기, 환원제, 산과 호환되지 않습니다.
- InChI
- 1S/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
- InChIKey
- PGLTVOMIXTUURA-UHFFFAOYSA-N
- SMILES
- NC(=O)CI
- NIST
- Alpha-iodo acetamide(144-48-9)
- EPA
- 2 · 2-Iodoacetamide (144-48-9)
화학적 성질
White solid in amber, foil sealed microtubes. Soluble in hot water, easily soluble in ethanol.
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P321, P330, P333+P317, P342+P316, P362+P364, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 192 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Acetamide, 2-iodo-
2-Iodoacetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes ulceration or bleeding from the stomach and other GI changes in 74-week intermittent oral studies of rats; [RTECS] May cause irritation; May cause skin and respiratory sensitization; Toxic by ingestion; [Sigma-Aldrich MSDS] See Chloroacetamide.
독성 정보
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AC4200000
- ridadr
- UN 2811 6.1/PG 3
- HS 번호
- 29241900
- risk_code
- 25-42/43-43-36/37/38-53
- hazard_code
- T
- safety_code
- 22-36/37-45-37/39-26-24
- 포장분류
- III
- 위험 등급
- 6.1
- 기존화학 물질
- KE-21033
- F 고인화성물질
- 8-10-21
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4Resp. Sens. 1Skin Sens. 1
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Highly reactive chemicals that introduce alkyl radicals into biologically active molecules and thereby prevent their proper functioning. Many are used as antineoplastic agents, but most are very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. They have also been used as components in poison gases.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
용도 및 제조
응용 분야
용도2-Iodoacetamide is an alkylating reagent for cysteine residues in peptide sequencing. Its actions are similar to those of iodoacetate. By virtue of reaction with cysteine, it is an irreversible inhibitor of enzymes with cysteine at the active site. It reacts much more slowly with histidine residues, but that activity is responsible for inhibition of ribonuclease.
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