메틸N-4-BOC-N-1-CBZ-2-피페라진카복실레이트

1-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate

HCID 4451965CAS 126937-42-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)C1CN(C(=O)OC(C)(C)C)CCN1C(=O)OCc1ccccc1
InChIKey: FUMOVDZJNXKHJM-UHFFFAOYSA-N
분자식: C19H26N2O6
평균 분자량: 378.4 g/mol
단동위원소 질량: 378.17908655

이름 및 식별자

우선 이름: 1-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
IUPAC: 1-O-benzyl 4-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylate
현지명: 메틸N-4-BOC-N-1-CBZ-2-피페라진카복실레이트
영어명: METHYL N-4-BOC-N-1-CBZ-2-PIPERAZINECARBOXYLATE
분자식: C19H26N2O6
분자량: 378.42

이름 및 동의어

126937-42-61-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylateDTXSID40403430RefChem:227878DTXCID70354284METHYL 4-BOC-1-CBZ-2-PIPERAZINECARBOXYLATEMethyl 4-N-Boc-1-N-Cbz-2-piperazine carboxylateMFCD03426296Methyl N-4-Boc-N-1-Cbz-2-piperazinecarboxylate1-O-benzyl 4-O-tert-butyl 2-O-methyl piperazine-1,2,4-tricarboxylateO1-Benzyl O4-tert-butyl O2-methyl piperazine-1,2,4-tricarboxylate1,2,4-Piperazinetricarboxylic acid, 4-(1,1-dimethylethyl) 2-methyl 1-(phenylmethyl) ester

이름 더 보기

메틸N-4-BOC-N-1-CBZ-2-피페라진카복실레이트Methyl (±)-1-benzyloxycarbonyl-4-Boc-piperazine-2-carboxylate1-(Benzyloxycarbonyl)-2-(methoxycarbonyl)-4-(tert-butoxycarbonyl)-piperazineMethyl 1-(benzyloxycarbonyl)-4-(tert-butyloxycarbonyl)piperazine-2-carboxylate(2R)-piperazine-1,2,4-tricarboxylic acid O4-tert-butyl ester O2-methyl ester O1-(phenylmethyl) ester

FUMOVDZJNXKHJM-UHFFFAOYSA-NSCHEMBL12883451-benzyl 4-tert-butyl 2-methyl (2S)-piperazine-1,2,4-tricarboxylate4-N-Boc-1-N-CBZ-piperazine-2-carboxylic acid methyl ester1,2,4-Piperazinetricarboxylic acid,4-(1,1-dimethylethyl)2-methyl1-(phenylmethyl)ester,(2S)-AKOS022173208AB14815CS-W009752

데이터베이스 식별자

CAS: 126937-42-6
PubChem CID: 4451965
DTXSID: DTXSID40403430
EC Number: 681-205-8

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 85.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 27
형식 전하: 0
복잡도: 539

물리화학적 성질

끓는 점: 476.9 · 476.9±45.0 °C(Predicted)
밀도: 1.214 · 1.214±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): -1.49 · -1.49±0.70(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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.