1-(Diphenylmethyl)azetidin-3-yl methanesulfonate

HCID 2758716CAS 33301-41-6

기본 정보

표준 SMILES: CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1
InChIKey: MSVZMUILYMLJCF-UHFFFAOYSA-N
분자식: C17H19NO3S
평균 분자량: 317.4 g/mol
단동위원소 질량: 317.10856447

이름 및 식별자

우선 이름: 1-(Diphenylmethyl)azetidin-3-yl methanesulfonate
IUPAC: (1-benzhydrylazetidin-3-yl) methanesulfonate
영어명: 1-(Diphenylmethyl)-3-azetidinyl methanesulfonate
분자식: C17H19NO3S
분자량: 317.4

이름 및 동의어

1-(diphenylmethyl)azetidin-3-yl methanesulfonateRefChem:427744608-857-833301-41-61-benzhydrylazetidin-3-yl methanesulfonate1-benzhydryl-3-methanesulfonatoazetidine1-benzhydryl-3-methanesulfonyloxy azetidine(1-benzhydrylazetidin-3-yl) methanesulfonate1-(Diphenylmethyl)-3-azetidinyl methanesulfonateMFCD001592161-Benzhydryl-3-azetidinyl Methanesulfonate1-(diphenylmethyl)-3-(methanesulfonyloxy)azetidine

이름 더 보기

1-Diphenylmethyl-3-azetidinyl MethanethiosulfonateBUTTPARK 37\04-141-(Diphenylmethyl)-3-(mesyloxy)azetidine1-Benzhydryl-3-methanesulphonyloxyazetidine1-BENZHYDRYL-3-METHANESULFONATOAZETIDINE 98%1-Benzhydryl-3-azetidinylMethanesulfonate>

C17H19NO3S1-Diphenylmethyl-3-azetidinyl methanesulfonate1-benzhydryl-3-mesyloxyazetidinemethanesulfonic acid 1-benzhydryl-azetidin-3-yl esterSB506811-benzhydryl-3-methanesulfonyloxyazetidine1-Benzhydryl-3-(methanesulfonyloxy)azetidine1-benzhydryl-3-(methanesulphonyloxy)-azetidine

데이터베이스 식별자

CAS: 33301-41-6
PubChem CID: 2758716
DTXSID: DTXSID20374452
ChEMBL: CHEMBL3676399
EC Number: 608-857-8、922-632-4
Nikkaji: J2.350.111B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 55 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 423

물리화학적 성질

녹는점: 111 · 111-112°C
끓는 점: 459.9 · 459.9±34.0 °C(Predicted)
밀도: 1.28 · 1.28±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: 디클로로메탄, 에테르, 에틸아세테이트, 메탄올에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 5.67 · 5.67±0.10(Predicted)
색상: 하얀색
InChI: InChI=1S/C17H19NO3S/c1-22(19,20)21-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey: MSVZMUILYMLJCF-UHFFFAOYSA-N
SMILES: N1(C(C2=CC=CC=C2)C2=CC=CC=C2)CC(OS(C)(=O)=O)C1

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 25-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32829

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

HS 번호: 29339900
safety_code: 24/25
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도A proline analog and proline formation inhibitor

상·하류 제품 정보

상류 원료

하류 제품

1-(디페닐메틸)-3-(하이드록시메틸)아제티딘 1-Benzhydrylazetidine-3-carboxylic acid 1-벤즈히드릴-3-페녹시-아제티딘 3-[(4-클로로페닐)티오]-1-(디페닐메틸)아제티딘

공급사50 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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