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

HCID 978342

기본 정보

CAS
130309-33-0
표준 SMILES
O=C(O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
LIRBCUNCXDZOOU-HSZRJFAPSA-N
분자식
C25H21NO4
평균 분자량
399.4 g/mol
단동위원소 질량
399.14705815

이름 및 식별자

우선 이름
(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC
(3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
영어명
N-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
분자식
C25H21NO4
분자량
399.44

이름 및 동의어

(3R)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:400768811-735-9Fmoc-D-Tic-OH130309-33-0Fmoc-D-TicMFCD00144345(R)-2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidFmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
이름 더 보기
FMOC-D-TIQRARECHEM BK PT 0081N-ALPHA-(9-FLUORENYLMETHOXYCAFmoc-D-Tetrahydroisoquinoline-3-COON-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline(9H-Fluoren-9-yl)MethOxy]Carbonyl D-Tic-OHFMOC-D-TETRAHYDROISOQUINOLINE-1-CARBOXYLIC ACID
n-fmoc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(R)-(-)-2-(9-Fluorenylmethoxycarbonyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acidfmoc-(3r)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)-LIRBCUNCXDZOOU-HSZRJFAPSA-NFA95P6EJC7SCHEMBL13252698SCHEMBL29400546

데이터베이스 식별자

CAS
130309-33-0
PubChem CID
978342
UNII
FA95P6EJC7
EC Number
811-735-9

물성

구조 계산 물성

XLogP
4.4
극성 표면적
66.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
30

물리화학적 성질

녹는점
160 · 160-164 °C
끓는 점
522.37 °C · 522.37°C (rough estimate)
밀도
1.239 · 1.2390 (rough estimate)
굴절률
1.6 · 1.6000 (estimate)
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (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 exposure; Respiratory 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

안전 데이터

wgk
3
HS 번호
29334900
hazard_code
Xi
safety_code
24/25
위험 등급
IRRITANT
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야

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

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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2건

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