tert-부틸4-메르캅토피페리딘-1-카르복실레이트

tert-Butyl 4-sulfanylpiperidine-1-carboxylate

HCID 21906090CAS 134464-79-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(S)CC1
InChIKey: USYCVFFWCMHPPG-UHFFFAOYSA-N
분자식: C10H19NO2S
평균 분자량: 217.33 g/mol
단동위원소 질량: 217.11364985

이름 및 식별자

우선 이름: tert-Butyl 4-sulfanylpiperidine-1-carboxylate
IUPAC: tert-butyl 4-sulfanylpiperidine-1-carboxylate
현지명: tert-부틸4-메르캅토피페리딘-1-카르복실레이트
영어명: tert-butyl 4-mercaptopiperidine-1-carboxylate
분자식: C10H19NO2S
분자량: 217.33

이름 및 동의어

134464-79-2TERT-BUTYL 4-SULFANYLPIPERIDINE-1-CARBOXYLATEDTXSID80619851RefChem:383647DTXCID30570605676-336-2tert-Butyl 4-mercaptopiperidine-1-carboxylate1-Boc-4-mercapto-piperidine1-N-Boc-4-MercaptopiperidineMFCD105660371-Boc-4-mercaptopiperidine1-Piperidinecarboxylic acid, 4-mercapto-, 1,1-dimethylethyl ester

이름 더 보기

tert-부틸4-메르캅토피페리딘-1-카르복실레이트1-tert-Butoxycarbonylpiperidine-4-thioltert-Butyl 4-Mercaptopiperidin-1-carboxylatetert-butyl 4-mercapto-1-piperidinecarboxylate4-mercapto-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester (9CI ACI)1-Piperidinecarboxylic acid, 4-mercapto-, 1,1-dimethylethyl ester (9CI, ACI)

4-Mercapto-piperidine-1-carboxylic acid tert-butyl ester1-Boc-piperidine-4-thiol1-Piperidi4-mercaptopiperidine-1-carboxylic acid tert-butyl estertert-Butyl4-mercaptopiperidine-1-carboxylateSCHEMBL1244691USYCVFFWCMHPPG-UHFFFAOYSA-NAKOS015949500

데이터베이스 식별자

CAS: 134464-79-2
PubChem CID: 21906090
DTXSID: DTXSID80619851
EC Number: 676-336-2

물성

구조 계산 물성

XLogP: 2
극성 표면적: 30.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 205

물리화학적 성질

녹는점: 41 · 41-42°
끓는 점: 294.2 · 294.2±33.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 10.52 · 10.52±0.20(Predicted)

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, P317, 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.