CAS 389889-80-9 1,1-Dimethylethyl 4-hydroxy-4-(hydroxymethyl)-1-piperidinecarboxylate (HCID 22594558)

기본 정보

CAS: 389889-80-9
표준 SMILES: CC(C)(C)OC(=O)N1CCC(O)(CO)CC1
InChIKey: BKZFMSPPZXDTJL-UHFFFAOYSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

이름 및 식별자

우선 이름: 1,1-Dimethylethyl 4-hydroxy-4-(hydroxymethyl)-1-piperidinecarboxylate
IUPAC: tert-butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate
현지명: 1-BOC-4-HYDROXY-4-(하이드록시메틸)-피페리딘
영어명: 1-Boc-4-hydroxy-4-(hydroxymethyl)-piperidine
분자식: C11H21NO4
분자량: 231.29

이름 및 동의어

389889-80-9RefChem:10518071,1-Dimethylethyl 4-hydroxy-4-(hydroxymethyl)-1-piperidinecarboxylatetert-Butyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate1-boc-4-hydroxy-4-(hydroxymethyl)piperidine1-Boc-4-hydroxy-4-(hydroxymethyl)-piperidineMFCD08062514SCHEMBL2349423DTXSID70626711BKZFMSPPZXDTJL-UHFFFAOYSA-Ntert-Butyl4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylateAKOS016011205

이름 더 보기

1-BOC-4-HYDROXY-4-(하이드록시메틸)-피페리딘1-Boc-4-hydroxy-4-(hydrox...1-Piperidinecarboxylicacid, 4-hydroxy-4-(hydroxymethyl)-, 1,...4-Hydroxy-4-hydroxyMethylpiperidine-1-carboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-hydroxy-4-(hydroxymethyl)-, 1,1-dimethylethyl ester2-Butenoicacid,2-hydroxy-4-[3-methyl-4-(phenylmethoxy)phenyl]-4-oxo-,methylester,(3Z)-

GS-5809PB310111-Boc-4-(hydroxymethyl)piperidin-4-olSY098672DB-069749CS-0048210EN300-317139F319834

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 70 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 251

물리화학적 성질

끓는 점: 350.9 · 350.9±27.0 °C(Predicted)
밀도: 1.164 · 1.164±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 14.06 · 14.06±0.20(Predicted)
InChI: InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-6-4-11(15,8-13)5-7-12/h13,15H,4-8H2,1-3H3
InChIKey: BKZFMSPPZXDTJL-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(O)(CO)CC1

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

상·하류 제품 정보

상류 원료

공급사35 곳

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화합물 노트

불러오는 중…

1-BOC-4-HYDROXY-4-(하이드록시메틸)-피페리딘