(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate

HCID 71003242

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1403898-64-5
표준 SMILES: C[C@@H]1CN[C@@H](CO)CN1C(=O)OC(C)(C)C
InChIKey: OCHKRKFPKUAHGF-RKDXNWHRSA-N
분자식: C11H22N2O3
평균 분자량: 230.3 g/mol
단동위원소 질량: 230.16304256

이름 및 식별자

우선 이름: (2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
IUPAC: tert-butyl (2R,5R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
영어명: (2R,5R)-tert-butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate
분자식: C11H22N2O3
분자량: 230.3

이름 및 동의어

1403898-64-5(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylatetert-butyl (2R,5R)-5-(hydroxymethyl)-2-methylpiperazine-1-carboxylateMFCD28100885(2R,5R)-4-Boc-5-methylpiperazine-2-methanoltert-butyl (2R,5R)-5-(hydroxymethyl)-2-methyl-piperazine-1-carboxylateDTXSID201121326CS-0047403(2R,5R)-t-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate1-Piperazinecarboxylic acid, 5-(hydroxymethyl)-2-methyl-, 1,1-dimethylethyl ester, (2R,5R)-SCHEMBL13825930TQP0802

이름 더 보기

(2R,5R)-1-Boc-5-(hydroxymethyl)-2-methylpiperazine(2R,5R)-tert-butyl 5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate(WXC05403)tert-butyl (2R,5R)-5-(hydroxymethyl)-2-methyl-piperazine-1-carboxylate - [B82754]

OCHKRKFPKUAHGF-RKDXNWHRSA-NAKOS027251829AS-43319SY127730F473673(2R,5R)-tert-Butyl 5-(hydroxymethyl)-2-methylpiperazine-1-car(2R,5R)-tert-Butyl5-(hydroxymethyl)-2-methylpiperazine-1-carboxylate(2R,5R)-5-Hydroxymethyl-2-methyl-piperazine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

CAS: 1403898-64-5
PubChem CID: 71003242
DTXSID: DTXSID201121326

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 61.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 250

물리화학적 성질

끓는 점: 330.8 · 330.8±22.0 °C(Predicted)
밀도: 1.05 · 1.050±0.06 g/cm3(Predicted)
저장 조건: RT, protect from light
산도 계수 (pKa): 14.97 · 14.97±0.10(Predicted)
InChI: InChI=1S/C11H22N2O3/c1-8-5-12-9(7-14)6-13(8)10(15)16-11(2,3)4/h8-9,12,14H,5-7H2,1-4H3/t8-,9-/m1/s1
InChIKey: OCHKRKFPKUAHGF-RKDXNWHRSA-N
SMILES: N1(C(OC(C)(C)C)=O)C[C@H](CO)NC[C@H]1C