1-BOC-4-메탄술포닐록시메틸-피페리딘

Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate

HCID 2765838CAS 161975-39-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1
InChIKey: RXNQBVRCZIYUJK-UHFFFAOYSA-N
분자식: C12H23NO5S
평균 분자량: 293.38 g/mol
단동위원소 질량: 293.12969384

이름 및 식별자

우선 이름: Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
현지명: 1-BOC-4-메탄술포닐록시메틸-피페리딘
영어명: 1-Boc-4-methanesulfonyloxymethyl-piperidine
분자식: C12H23NO5S
분자량: 293.38

이름 및 동의어

Tert-butyl 4-(methylsulfonyloxymethyl)piperidine-1-carboxylateRefChem:893882800-659-1161975-39-9tert-Butyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate1-BOC-4-METHANESULFONYLOXYMETHYL-PIPERIDINEMFCD02082459tert-butyl 4-[(methanesulfonyloxy)methyl]piperidine-1-carboxylate1-N-BOC-4-METHANESULFONYLOXYMETHYLPIPERIDINEtert-butyl 4-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylatetert-Butyl 4-([(methylsulfonyl)oxy]methyl)tetrahydro-1(2h)-pyridinecarboxylate1-piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methyl]-, 1,1-dimethylethyl ester

이름 더 보기

1-BOC-4-메탄술포닐록시메틸-피페리딘AMADISCHEMICAL1-Boc-4-(MethylsulfonyloxyMethyl)piperidine1-Boc-4-Methanesulfonyloxymethyl-piperidine?New4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate1-piperidinecarboxylic acid, 4-[[(methylsulfonyl)oxy]methy

1-BOC-4-MESYLOXYMETHYLPIPERIDINEN-Boc-4-Methanesulfonyloxymethyl-piperidineTERT-BUTYL 4-{[(METHYLSULFONYL)OXY]-METHYL}TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE1,1-dimethylethyl 4-{[(methylsulfonyl)oxy)methyl}piperidine-1-carboxylate1,1-dimethylethyl 4-{[(methylsulfonyl)oxy]methyl}piperidine-1-carboxylatetert-butyl 4-{[(methylsulfonyl)oxy]methyl}tetrahydro-1(2H)-pyridinecarboxylate4-Methanesulfonyloxymethyl-piperidine-1-carboxylic acid tert-butyl ester1-Boc-4-[[(methylsulfonyl)oxy]methyl]piperidine

데이터베이스 식별자

CAS: 161975-39-9
PubChem CID: 2765838
DTXSID: DTXSID40377566
EC Number: 800-659-1

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 81.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 399

물리화학적 성질

녹는점: 73 · 73-76°C
끓는 점: 418.8 · 418.8±18.0 °C(Predicted)
밀도: 1.175 · 1.175±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): -1.96 · -1.96±0.40(Predicted)
InChI: InChI=1S/C12H23NO5S/c1-12(2,3)18-11(14)13-7-5-10(6-8-13)9-17-19(4,15)16/h10H,5-9H2,1-4H3
InChIKey: RXNQBVRCZIYUJK-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(COS(C)(=O)=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (2 of 6) of reports.

Warning

H302 (33.3%): 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)

Aggregated GHS information provided per 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.