N-4-Boc-2-피페라진카르복실산

4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid

HCID 5175855

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 128019-59-0
표준 SMILES: CC(C)(C)OC(=O)N1CCNC(C(=O)O)C1
InChIKey: YRYAXQJXMBETAT-UHFFFAOYSA-N
분자식: C10H18N2O4
평균 분자량: 230.26 g/mol
단동위원소 질량: 230.12665706

이름 및 식별자

우선 이름: 4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
현지명: N-4-Boc-2-피페라진카르복실산
영어명: N-4-Boc-2-piperazinecarboxylic acid
분자식: C10H18N2O4
분자량: 230.26

이름 및 동의어

4-[(tert-butoxy)carbonyl]piperazine-2-carboxylic acid4-((tert-butoxy)carbonyl)piperazine-2-carboxylic acidRefChem:509960626-374-0128019-59-04-(tert-butoxycarbonyl)piperazine-2-carboxylic acid4-Boc-piperazine-2-carboxylic acidN-4-Boc-2-piperazinecarboxylic acid4-N-Boc-piperazine-2-carboxylic acid1-Boc-piperazine-3-carboxylic acidMFCD010762184-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic Acid

이름 더 보기

N-4-Boc-2-피페라진카르복실산(R)-4-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID4-BOC-(4-N-BOC)PIPERAZINE(2R) COOH4-BOCpiperazin-2-carboxylic acid4-Boc-2-piperazinecarboxylic acid4-N-Boc-2-piperazinecarboxylic acidN4-Boc-piperazine-2-carboxylic acid(R)-4-Boc-piperazine-2-carboxylid acid

piperazine-1,3-dicarboxylic acid 1-tert-butyl esterDTXSID50409180AC-2201PB122694-(tert.butoxycarbonyl)-2-piperazinecarboxylic acidpiperazine-1,3-dicarboxylic acid-1-tert-butyl ester4-[(tert-butyl)oxycarbonyl]piperazine-2-carboxylic acid4-Boc Piperazine-2-Carboxylic acid

데이터베이스 식별자

CAS: 128019-59-0
PubChem CID: 5175855
DTXSID: DTXSID50409180
EC Number: 626-374-0

물성

구조 계산 물성

XLogP: -2.2
극성 표면적: 78.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 285

물리화학적 성질

녹는점: 231 · 231-239 °C
끓는 점: 371.8 · 371.8±37.0 °C(Predicted)
밀도: 1.193 · 1.193±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 2.2 · 2.20±0.20(Predicted)
물리적 상태: 분말 또는 결정
수용성: 물에 약간 용해됩니다.
InChI: 1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)
InChIKey: YRYAXQJXMBETAT-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C(O)=O

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.