N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine

BOC-L-CYS(TRT)-OH · Boc-Cys(Trt) · N-(TERT-BUTOXYCARBONYL)-S-TRITYL-L-CYSTEINE · Boc-S-Trityl-Cys-OH · Boc-Cys(Trt)-OH 97% · BOC-CYSTEINE(TRT)-OH · Boc-Cys(Trt)-OH, >=98% · BOC-L-CYSTEINE(TRITYL)

https://huagongshe.com/ko/chemical/89557

N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine 분자 구조식

식별자 및 물리적 특성

CAS No.	21947-98-8
분자식	C27H29NO4S
평균 분자량	463.6 g/mol
단동위원소 질량	463.18172958 g/mol
SMILES	CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIKey	JDTOWOURWBDELG-UHFFFAOYSA-N
PubChem CID	89557
ChEMBL	CHEMBL409818
EC No.	244-674-6

화학 및 물리적 성질

XLogP	5.9
극성 표면적	101
수소 결합 공여자 수	2
수소 결합 수용자 수	5
회전 가능 결합 수	10
무거운 원자 수	33
형식 전하	0
복잡도	583
녹는점	143-146 °C(lit.)
끓는 점	610.9±55.0 °C(Predicted)
밀도	1.200±0.06 g/cm3(Predicted)
저장 조건	Sealed in dry,2-8°C
용해도	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태	가루
pKa(산도 계수)	3.82±0.10(Predicted)
색상	White to off-white
BRN	2028965
주요 응용	펩타이드 합성
InChIKey	JDTOWOURWBDELG-QHCPKHFHSA-N
SMILES	C(O)(=O)[C@H](CSC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(OC(C)(C)C)=O

화학적 성질

White to yellow crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%)
수질 위해 등급(WGK)	3
관세 코드	2930 90 16
안전 문구(S)	22-24/25
F 고인화성물질	3-10
저장 분류	11 - Combustible Solids