N-BOC-3-메실록시피페리딘

N-Boc-3-mesyloxypiperidine

HCID 568122

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 129888-60-4
표준 SMILES: CC(C)(C)OC(=O)N1CCCC(OS(C)(=O)=O)C1
InChIKey: WLAZHMYDLUILKR-UHFFFAOYSA-N
분자식: C11H21NO5S
평균 분자량: 279.36 g/mol

이름 및 식별자

우선 이름: N-Boc-3-mesyloxypiperidine
IUPAC: tert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate
현지명: N-BOC-3-메실록시피페리딘
영어명: N-Boc-3-mesyloxypiperidine
분자식: C11H21NO5S
분자량: 279.35

이름 및 동의어

129888-60-4N-Boc-3-mesyloxypiperidinetert-Butyl 3-((methylsulfonyl)oxy)piperidine-1-carboxylatetert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate1-BOC-3-METHANESULFONYLOXY-PIPERIDINEMFCD077871931-Boc-3-[(methylsulfonyl)oxy]piperidine1-Piperidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester1-Boc-3-MethanesulphonyloxypiperidineN-BOC-3-(Methylsulfonyloxy)piperidinetert-butyl 3-[(methylsulfonyl)oxy]piperidine-1-carboxylate3-(Methylsulfonyloxy)piperidine-1-carboxylic acid tert-butyl ester

이름 더 보기

N-BOC-3-메실록시피페리딘1-Boc-3-methanesulfonyloxy-piper3-((methylsulfonyl)oxy)piperidine-1-carboxylatetert-Butyl 3-Methylsulfonyloxypiperidin-1-carboxylatetert-Butyl 3-[(methylsulfonyloxy)]-1-piperidinecarboxylate

tert-butyl 3-(methylsulfonyloxy)piperidine-1-carboxylateTert-butyl3-(methylsulfonyloxy)piperidine-1-carboxylatetert-butyl 3-(methanesulfonyloxy)piperidine-1-carboxylate1-(tert-Butoxycarbonyl)-3-(methanesulfonyloxy)piperidineSCHEMBL215720tert-Butyl 3-((methylsulfonyl)1-(TERT-BUTOXYCARBONYL)PIPERIDIN-3-YL METHANESULFONATE3-methylsulfonyloxy-1-piperidinecarboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 129888-60-4
PubChem CID: 568122
EC Number: 178-213-4
Nikkaji: J527.165G

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 393

물리화학적 성질

녹는점: 67 · 67-70°
끓는 점: 407.2 · 407.2±34.0 °C(Predicted)
밀도: 1.22 · 1.22±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -3.34 · -3.34±0.40(Predicted)
InChI: InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-6-9(8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey: WLAZHMYDLUILKR-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(OS(C)(=O)=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.