CAS 352437-09-3 Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate (HCID 11824027)

기본 정보

CAS: 352437-09-3
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2)CC1
InChIKey: QKIPWYSRBGTXRG-UHFFFAOYSA-N
분자식: C15H21BrN2O2
평균 분자량: 341.24 g/mol
단동위원소 질량: 340.07864001

이름 및 식별자

우선 이름: Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylate
현지명: 4-(4-브로모-페닐)-피페라진-1-카르복실산tert-부틸에스테르
영어명: 4-(4-Bromo-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
분자식: C15H21BrN2O2
분자량: 341.24

이름 및 동의어

352437-09-3Tert-butyl 4-(4-bromophenyl)piperazine-1-carboxylateDTXSID60473892RefChem:383501DTXCID404247061-Boc-4-(4-Bromophenyl)piperazine4-(4-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERMFCD073716494-(4-Bromophenyl)piperazine-1-carboxylic acid tert-butyl ester4-(4-Bromophenyl)piperazine, N1-BOC protectedAKOS015837011EN300-181981

이름 더 보기

4-(4-브로모-페닐)-피페라진-1-카르복실산tert-부틸에스테르KML-31CML-0281-Boc-4-(4-Bromophenyl)piperazin4-(4-Boc-Piperazino)-1-bromobenzenet-Butyl 4-(4-Bromophenyl)piperazine-1-carboxylate4-(4-Bromophenyl)piperazine, N1-BOC protected 98%1-tert-Butoxycarbonyl-4-(4-broMophenyl)piperazine4-(4-bromophenyl)-1-piperazinecarboxylic acid tert-butyl ester

A822669SCHEMBL1115306QKIPWYSRBGTXRG-UHFFFAOYSA-N4-(4-BROMO-PHENYL)-PIPECS-M2469AB32631FB56462PS-7009

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 32.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 327

물리화학적 성질

녹는점: 146.3 · 146.3-147.5 °C
끓는 점: 424.7 · 424.7±40.0 °C(Predicted)
밀도: 1.332 · 1.332±0.06 g/cm3(Predicted)
저장 조건: Room temperature.
산도 계수 (pKa): 2.83 · 2.83±0.10(Predicted)
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: InChI=1S/C15H21BrN2O2/c1-15(2,3)20-14(19)18-10-8-17(9-11-18)13-6-4-12(16)5-7-13/h4-7H,8-11H2,1-3H3
InChIKey: QKIPWYSRBGTXRG-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCN(C2=CC=C(Br)C=C2)CC1