4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl
기본 정보
- CAS
25713-24-0- 표준 SMILES
CC1(C)CC(NC(=O)CI)CC(C)(C)N1[O]- InChIKey
UCTVRHAKQRFPEZ-UHFFFAOYSA-N- 분자식
- C11H20IN2O2
- 평균 분자량
- 339.19 g/mol
- 단동위원소 질량
- 339.05695
개요
4-(2-iodacetamido)-TEMPO is a piperidinecarboxamide that is TEMPO carrying an 2-iodoacetamido group at position 4. It has a role as a spin label and a radical scavenger. It is a secondary carboxamide, an organoiodine compound, a member of aminoxyls and a piperidinecarboxamide. It is functionally related to a 4-amino-TEMPO.
이름 및 식별자
- 우선 이름
- 4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxyl
- IUPAC
- [4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanyl
- 영어명
- 4-(2-Iodoacetamido)-TEMPO
- 분자식
- C11H20IN2O2*
- 분자량
- 339.19
이름 및 동의어
25713-24-0IASLTMPIAN-(1-oxyl-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamide4-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine-1-oxylDTXSID301804052,2,6,6-Tetramethylpiperdin-N-1-oxyiodoacetamideN-(Oxyl-2,2,6,6-tetramethylpiperid-4-yl)iodoacetamide4-(N-Iodoacetamide)-2,2,6,6-tetramethylpiperidine-1-oxylN-(1-Oxy-2,2,6,6-tetramethyl-4-piperidinyl)iodoacetamideRefChem:161471DTXCID00102896
이름 더 보기
spinlabel4-(2-Iodoacetamido)-TEMPO4-(2-IODOACETAMIDO)-TEMPO, FREE RADICAL4-(2-IODOACETAMIDO)-TEMPO FREE RADICAL 98%4-(2-IODOACETAMIDO)-TEMPO, 98%, FREE RADICAL4-(2-IODOACETAMIDO)-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY4-((IODOACETYL)AMINO)-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY
MFCD000101714-(2-Iodoacetamido)-2,2,6,6-tetramethylpiperidine 1-oxylC11H20IN2O24-(2-Iodacetamido)-TEMPOCHEBI:180674[4-(2-iodoacetamido)-2,2,6,6-tetramethylpiperidin-1-yl]oxidanylAKOS015916248I0487
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 33.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 261
물리화학적 성질
- 녹는점
- 114 · 114-117 °C
- 밀도
- 1.436 · 1.4360 (estimate)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- powder to crystal
- 색상
- Light yellow to Amber to Dark green
- InChI
- 1S/C11H20IN2O2/c1-10(2)5-8(13-9(15)7-12)6-11(3,4)14(10)16/h8H,5-7H2,1-4H3,(H,13,15)
- InChIKey
- UCTVRHAKQRFPEZ-UHFFFAOYSA-N
- SMILES
- CC1(C)CC(CC(C)(C)N1[O])NC(=O)CI
화학적 성질
ORANGE FINE CRYSTALLINE POWDER
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29339980
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-26
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도4-(2-Iodoacetamido)-TEMPO is a methionine specific spin label that is used to investigate the binding site of phosphoenolpyruvate caboxykinase and GTP, as well as evaluate the alkylation of SH1 and SH2 of myosin.
관련 반응
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