N-4-BOC-N-1-CBZ-2-피페라진카르복시산

N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid

HCID 2756777

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 126937-41-5
표준 SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1
InChIKey: MKXMXZZARNRMMQ-UHFFFAOYSA-N
분자식: C18H24N2O6
평균 분자량: 364.4 g/mol
단동위원소 질량: 364.16343649

이름 및 식별자

우선 이름: N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid
IUPAC: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
현지명: N-4-BOC-N-1-CBZ-2-피페라진카르복시산
영어명: N-4-BOC-N-1-CBZ-2-PIPERAZINE CARBOXYLIC ACID
분자식: C18H24N2O6
분자량: 364.39

이름 및 동의어

126937-41-5N-4-Boc-N-1-Cbz-2-piperazine carboxylic acid4-Boc-1-Cbz-2-piperazinecarboxylic acid1-((Benzyloxy)carbonyl)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acidMFCD016311921-[(benzyloxy)carbonyl]-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-(benzyloxycarbonyl)-4-(tert-butoxycarbonyl)piperazine-2-carboxylic acid1-benzyloxycarbonyl-4-tert-butoxycarbonyl-piperazine-2-carboxylic acidBOC-4-CBZ-2-PIPERAZINE CARBOXYLIC ACID( inverted exclamation markA)-1-Benzyloxycarbonyl-4-Boc-piperazine-2-carboxylic acid(R)-4-tert-Butoxycarbonyl-1-(benzyloxycarbonyl)piperazine-2-carboxylic acid

이름 더 보기

N-4-BOC-N-1-CBZ-2-피페라진카르복시산SA051100piperazine-1,2,4-tricarboxylic acid4-Boc-1-Cbz-2-Piperazine carboxylic acid4-BOC-1-CBZ-PIPERAZINE-2-CARBOXYLIC ACID1-Cbz-4-Boc-piperazine-2-carboxylic Acid4-N-BOC-1-N-CBZ-PIPERAZINE-2-CARBOXYLIC ACIDBenzyloxycarbonyl-4-Boc-piperazine-2-carboxylicacid1-((Benzyloxy)carbonyl)-4-bocpiperazine-2-carboxylic acid(±)-1-Benzyloxycarbonyl-4-Boc-piperazine-2-carboxylic acid

1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) estern-1-boc-n-4-cbz-2-piperazinecarboxylic acid t-butyl esterMKXMXZZARNRMMQ-UHFFFAOYSA-NSCHEMBL375852DTXSID00373529AKOS015841574AB19897AB32483

데이터베이스 식별자

CAS: 126937-41-5
PubChem CID: 2756777
DTXSID: DTXSID00373529
EC Number: 672-407-7

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 96.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 524

물리화학적 성질

녹는점: 150 · 150-152°C
끓는 점: 518.9 · 518.9±50.0 °C(Predicted)
밀도: 1.272 · 1.272
저장 조건: Store at room temperature
산도 계수 (pKa): 3.68 · 3.68±0.20(Predicted)

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.