(S)-4-N-Boc-2-(히드록시메틸)피페라진

tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate

HCID 24820294

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 314741-40-7
표준 SMILES: CC(C)(C)OC(=O)N1CCN[C@H](CO)C1
InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N
분자식: C10H20N2O3
평균 분자량: 216.28 g/mol
단동위원소 질량: 216.1473925

이름 및 식별자

우선 이름: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
IUPAC: tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylate
현지명: (S)-4-N-Boc-2-(히드록시메틸)피페라진
영어명: (S)-1-Boc-3-hydroxymethyl-piperazine
분자식: C10H20N2O3
분자량: 216.28

이름 및 동의어

314741-40-7tert-butyl (3S)-3-(hydroxymethyl)piperazine-1-carboxylateDTXSID606474751,1-dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylateRefChem:891853DTXCID10598226965-593-9(s)-tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate(S)-1-Boc-3-hydroxymethyl-piperazine(S)-4-N-Boc-2-Hydroxymethyl-piperazine(S)-1-Boc-3-hydroxymethylpiperazine(s)-1-boc-3-(hydroxymethyl)piperazine

이름 더 보기

(S)-4-N-Boc-2-(히드록시메틸)피페라진H57160TL8002412(S)-4-N-Boc-2-hydroxyMeth...(3S)-3-(Hydroxymethyl)piperazine(S)-1-Boc-3-(hyroxyMethyl)piperazine(S)-4-Boc-2-(Hydroxymethyl)piperazine(3S)-1-Boc-3-(hydroxyMethyl)-piperazine

MFCD05863889(S)-4-N-BOC-2-hydroxymethylpiperazine(S)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL1462710tert-butyl (S)-3-(hydroxymethyl)piperazine-1-carboxylateNSILYQWHARROMG-QMMMGPOBSA-NCS-D0660AKOS005258470

데이터베이스 식별자

CAS: 314741-40-7
PubChem CID: 24820294
DTXSID: DTXSID60647475
EC Number: 965-593-9
Nikkaji: J2.542.300C

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 225

물리화학적 성질

끓는 점: 322.9 · 322.9±22.0 °C(Predicted)
밀도: 1.085 · 1.085±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 14.97 · 14.97±0.10(Predicted)
InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1
InChIKey: NSILYQWHARROMG-QMMMGPOBSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@H](CO)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933599590

화학 및 산업

응용 분야

용도(S)-4-N-Boc-2-(hydroxymethyl)piperazine is a useful research chemical.

상·하류 제품 정보

상류 원료

공급사100 곳

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

上海凌凯科技股份有限公司58950110 13124863828 · [email protected]

추가 설명

정의(S)-1-Boc-3-hydroxymethyl-piperazine is also known as (S)-4-N-Boc-2-(hydroxymethyl)piperazine or (S)-tert-Butyl 3-(hydroxymethyl)piperazine-1-carboxylate.