기본 정보
- CAS
68672-66-2- 표준 SMILES
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1- InChIKey
RACSQPAUTPPMLG-JYUHDHNASA-N- 분자식
- C32H33N3O5S
- 평균 분자량
- 571.7 g/mol
이름 및 식별자
- 우선 이름
- (Z)-alpha-((2-(tert-Butoxy)-1,1-dimethyl-2-oxoethoxy)imino)-2-(tritylamino)thiazol-4-acetic acid
- IUPAC
- (2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acid
- 영어명
- (Z)-2-(tert-Butoxycarbonylprop-2-oxyimino)-2-(2-tritylaminothiazol-4-yl)acetic acid
- 분자식
- C32H33N3O5S
- 분자량
- 571.69
이름 및 동의어
68672-66-2(Z)-alpha-((2-(tert-Butoxy)-1,1-dimethyl-2-oxoethoxy)imino)-2-(tritylamino)thiazol-4-acetic acid(Z)-2-(((1-(tert-Butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-(tritylamino)thiazol-4-yl)acetic acid(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetic acidC32H33N3O5S(2Z)-2-({[1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl]oxy}imino)-2-{2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl}acetic acidEINECS 272-056-6SCHEMBL2772607MFCD08703305(2Z)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetic acidNS00062455(Z)-2-(((1-(tert-Butoxy)-2-methyl-1-oxopropan-2-yl)oxy)imino)-2-(2-(tritylamino)thiazol-4-yl)aceticacid
이름 더 보기
TB-TAA(Z)-2-(Tert-butoxycarbonylprop(Z)-2-(tert-Butoxycarbonylprop-2-Oxyimino)-2-(2-Tritylamino-...Z-2-(t-Boc-prop-2-oxyimino)-2-(2-tritylamino-thiazol-4-yl)aceticacid=TB-TAA(Z)-2-(2-tritylaminothiazol-4-yl)-2-(2-t-butoxycarbonylprop-2-oxyimino)-acetic a(Z)-2-(TERT-BUTOXYCARBONYLPROP-2-OXYIMINO)-2-(2-TRITYLAMINO-THIAZOL-4-YL)ACETIC ACID(Z)-2-(2-Tritylaminothiazol-4-yl)-2-(2-tert-butoxycarbonylprop-2-oxyimino)acetic acid(Z)-2-(2-TRITYLAMINOTHIAZOL-4-YL)-2-(1-T-BUTOXYCARBONYL-1-METHYL)ETHOXYIMINOACETICACIDTB-TAA:(Z)-2-(TERT-BUTOXYCARBONYLPROP-2-OXYIMINO)-2-(2- TRITYLAMINOTHIAZOL-4-YL) ACETIC ACID(Z)-α-[[2-(tert-butoxy)-1,1-dimethyl-2-oxoethoxy]imino]-2-(tritylamino)thiazol-4-acetic acid
데이터베이스 식별자
- CAS
68672-66-2- PubChem CID
- 11039088
- EC Number
- 272-056-6
- Nikkaji
- J332.579B
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 869
물리화학적 성질
- 녹는점
- 168 · 168-169 °C
- 끓는 점
- 707.5 · 707.5±70.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 증기압
- 3 Pa · 3Pa at 20℃
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 2.33 · 2.33±0.41(Predicted)
- 수용성
- 3.44 μg/L · 3.44μg/L at 20℃
- LogP
- 7.92 at · 7.92 at 20℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (12 of 12) of all reports.
Not Classified
Aggregated GHS information provided per 12 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: No longer Valid Update: 15-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26085
Hazard Classes and CategoriesNot Classified
안전 데이터
- 기존화학 물질
- 2003-3-2389
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