(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

FMOC-D-TIC-OH · FMOC-D-TIC · (R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid · FMOC-D-TIQ · RARECHEM BK PT 0081 · N-ALPHA-(9-FLUORENYLMETHOXYCA · Fmoc-D-Tetrahydroisoquinoline-3-COO · N-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline

https://huagongshe.com/ko/chemical/978342

(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	130309-33-0
분자식	C25H21NO4
평균 분자량	399.4 g/mol
단동위원소 질량	399.14705815 g/mol
SMILES	O=C(O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey	LIRBCUNCXDZOOU-HSZRJFAPSA-N
PubChem CID	978342
EC No.	811-735-9

화학 및 물리적 성질

XLogP	4.4
극성 표면적	66.8
수소 결합 공여자 수	1
수소 결합 수용자 수	4
회전 가능 결합 수	4
무거운 원자 수	30
형식 전하	0
복잡도	629
녹는점	160-164 °C
끓는 점	522.37°C (rough estimate)
밀도	1.2390 (rough estimate)
굴절률	1.6000 (estimate)
저장 조건	Sealed in dry,Store in freezer, under -20°C
용해도	Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
물리적 상태	가루
pKa(산도 계수)	3.82±0.20(Predicted)
색상	White to off-white
주요 응용	펩타이드 합성
InChI	InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/t23-/m1/s1
InChIKey	LIRBCUNCXDZOOU-HSZRJFAPSA-N
SMILES	C1C2=C(C=CC=C2)C[C@H](C(O)=O)N1C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 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 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%)
수질 위해 등급(WGK)	3
관세 코드	29334900
위험 표시	Xi
안전 문구(S)	24/25
위험 등급	IRRITANT
저장 분류	11 - Combustible Solids

용도

Fmoc-D-Tic-OH, is an amino acid derivative used in peptide chemistry.