(R)-3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLICACIDTERT-부틸에스테르

tert-Butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate

HCID 24820286CAS 278788-66-2

부분 구조 검색 유사 구조 찾기

기본 정보

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

이름 및 식별자

우선 이름: tert-Butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
IUPAC: tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylate
현지명: (R)-3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLICACIDTERT-부틸에스테르
영어명: (R)-1-BOC-3-(Hydroxymethyl)piperazine
분자식: C10H20N2O3
분자량: 216.28

이름 및 동의어

278788-66-2tert-butyl (3R)-3-(hydroxymethyl)piperazine-1-carboxylateDTXSID40647473RefChem:383009DTXCID90598224676-049-2(R)-1-Boc-3-hydroxymethyl-piperazine(r)-tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate(r)-1-boc-3-(hydroxymethyl)piperazine(R)-4-N-Boc-2-hydroxymethyl-piperazinetert-Butyl (3R)-3-(hydroxymethyl)-1-piperazinecarboxylate(R)-1-Boc-3-hydroxymethylpiperazine

이름 더 보기

(R)-3-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLICACIDTERT-부틸에스테르H57159(3R)-3-(hydroxymethyLPIPERAZINE-1-CARBOXYLIC(R)-4-N-Boc-2-hydroxyMeth...(3R)-3-(Hydroxymethyl)piperazine(R)-4-Boc-2-hydroxymethyl-piperazine

MFCD05863888(R)-3-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl estertert-butyl (R)-3-(hydroxymethyl)piperazine-1-carboxylate(R)-3-HydroxymSCHEMBL994990orb3031690NSILYQWHARROMG-MRVPVSSYSA-NCS-D0659

데이터베이스 식별자

CAS: 278788-66-2
PubChem CID: 24820286
DTXSID: DTXSID40647473
EC Number: 676-049-2

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

녹는점: 68 · 68-70°C
끓는 점: 322.9 · 322.9±22.0 °C(Predicted)
밀도: 1.085 · 1.085±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 14.97 · 14.97±0.10(Predicted)
색상: 흰색에서 황백색까지
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-/m1/s1
InChIKey: NSILYQWHARROMG-MRVPVSSYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN[C@@H](CO)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (60%): 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.