CAS 37149-18-1 Tempo carboxylic acid (HCID 3080786)

기본 정보

CAS: 37149-18-1
표준 SMILES: CC1(C)CC(C(=O)O)CC(C)(C)N1[O]
InChIKey: CYQGCJQJIOARKD-UHFFFAOYSA-N
분자식: C10H18NO3
평균 분자량: 200.25 g/mol
단동위원소 질량: 200.12866844

개요

4-carboxy-TEMPO is a member of the class of aminoxyls that is TEMPO carrying a carboxy group at position 4. It has a role as a spin label, a MRI contrast agent and a radical scavenger. It is a piperidinemonocarboxylic acid and a member of aminoxyls. It is functionally related to a TEMPO.

이름 및 식별자

우선 이름: Tempo carboxylic acid
IUPAC: (4-Carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
영어명: 4-Carboxy-2,2,6,6-tetramethylpiperidine 1-oxyl
분자식: C10H18NO3*
분자량: 200.25

이름 및 동의어

Tempo carboxylic acidTca meglumineTempo carboxylateDTXSID401906314-Carboxyl-2,2,6,6-tetramethylpiperidinoxyl1-Oxyl-4-carboxyl-2,2,6,6-tetramethylpiperidine4-carboxyl-2,2,6,6-tetramethylpiperidin-1-yloxylCTEMPORefChem:187808DTXCID8011312237149-18-14-Carboxy-TEMPO

이름 더 보기

RARECHEM AL BO 13874-Carboxy-TEMPO Free Radical4carboxy TEMPO,4 carboxy TEMPO4-Carboxy-TEMPO, free radical 97%4-CARBOXY-TEMPO, FREE RADICAL, 97%4-CARBOXY-2,2,6,6-TETRAMETHYLPIPERIDINYLOXY

4-carboxy tempo(4-carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl4-carboxy-2,2,6,6-tetramethylpiperidine-1-oxyl4-Carboxy-2,2,6,6-tetramethylpiperidine-N-oxylC10H18NO3CYQGCJQJIOARKD-UHFFFAOYSA-N1-Piperidinyloxy, 4-carboxy-2,2,6,6-tetramethyl-CHEMBL1673203

데이터베이스 식별자

CAS: 37149-18-1
PubChem CID: 3080786
DTXSID

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 41.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 230

물리화학적 성질

녹는점: 185 · 185-189 °C(lit.)
저장 조건: 2 · 2-8°C
용해도: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
물리적 상태: powder to crystal
색상: 밝은 노란색에서 갈색까지
BRN: 3949026 · 3949026
InChI: InChI=1S/C10H18NO3/c1-9(2)5-7(8(12)13)6-10(3,4)11(9)14/h7H,5-6H2,1-4H3,(H,12,13)
InChIKey: CYQGCJQJIOARKD-UHFFFAOYSA-N
SMILES: C1(C)(C)CC(CC(C)(C)N1[O])C(=O)O |^1:10|

안전 및 규제

GHS 분류

GHS Classification · 4건

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933.39.9200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도4-Carboxy-TEMPO may be employed as catalyst for the oxidation of regenerated cellulose (viscose rayon) to cellouronic acid. 4-Carboxy-TEMPO is a 4-substituted 2,2,6,6-tetramethylpiperidyl-1-oxy (TEMPO) derivative. 4-carboxy-TEMPO immobilized with 3-aminopropylsilane on the mesoporous silica surface comprises heterogeneous catalytic system employed for various oxidation reactions.

일반 설명4-Carboxy-TEMPO is a 4-substituted 2,2,6,6-tetramethylpiperidyl-1-oxy (TEMPO) derivative. 4-carboxy-TEMPO immobilized with 3-aminopropylsilane on the mesoporous silica surface comprises heterogeneous catalytic system employed for various oxidation reactions.

공급사63 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Hubei Lidu New Material Technology Co., Ltd+86-19307248857 +86-19307248857 · [email protected]

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