Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamate

HCID 3563804

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 152120-55-3
표준 SMILES: O=C(N=C(NC(=O)OCc1ccccc1)n1cccn1)OCc1ccccc1
InChIKey: NRBUVVTTYMTSKM-UHFFFAOYSA-N
분자식: C20H18N4O4
평균 분자량: 378.4 g/mol

이름 및 식별자

우선 이름: Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamate
IUPAC: benzyl N-[phenylmethoxycarbonylamino(pyrazol-1-yl)methylidene]carbamate
영어명: N,N'-Bis-Z-1-guanylpyrazole
분자식: C20H18N4O4
분자량: 378.39

이름 및 동의어

152120-55-3RefChem:861794Phenylmethyl N-((((phenylmethoxy)carbonyl)amino)-1H-pyrazol-1-ylmethylene)carbamateN,N'-BIS-Z-1-GUANYLPYRAZOLEN,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidineN,N'-Di-Cbz-pyrazole-1-carboxamidineMFCD02092983N,N'-Di-Cbz-1H-pyrazole-1-carbamidineBenzyl ((((benzyloxy)carbonyl)amino)(1H-pyrazol-1-yl)methylene)carbamateBenzyl ((((benzyloxy)carbonyl)amino)-(1H-pyrazol-1-yl)methylene)carbamatepyrazol(z)2N,N'-Bis(carbobenzoxy)-1H-pyrazole-1-carboxamidine

이름 더 보기

Z-PyrazolPYRAZOLE(Z)2Pyrazol(Z)2≥ 99% (HPLC)N,N'-Di-Cbz-1H-pyrazole-1-carbo1-[N,N'-(Di-Cbz)amidino]pyrazoleN,N'-DI-Z-1H-PYRAZOL-1-CARBAMIDINEN,N'-DI-Z-1H-PYRAZOLE-1-CARBAMIDINE

A809261N,N'Bis(Bezyloxycarbonyl)1H-pyrazole1carboxamidineSCHEMBL670164SCHEMBL670165N,N`-Bis-Z-1-GuanylpyrazoleSCHEMBL5567091N,N inverted exclamation marka-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidinebenzyl (NZ)-N-[benzyloxycarbonylamino(pyrazol-1-yl)methylene]carbamate

데이터베이스 식별자

CAS: 152120-55-3
PubChem CID: 3563804
EC Number: 628-402-7

물성

구조 계산 물성

XLogP: 4.1
극성 표면적: 94.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 28
형식 전하: 0
복잡도: 542

물리화학적 성질

녹는점: 90 · 90-96 °C
밀도: 1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 6.66 · 6.66±0.46(Predicted)
색상: 흰색에서 거의 흰색
주요 응용: 펩타이드 합성
InChI: InChI=1S/C20H18N4O4/c25-19(27-14-16-8-3-1-4-9-16)22-18(24-13-7-12-21-24)23-20(26)28-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,22,23,25,26)
InChIKey: NRBUVVTTYMTSKM-UHFFFAOYSA-N
SMILES: C(/N1N=CC=C1)(\NC(=O)OCC1C=CC=CC=1)=N\C(=O)OCC1C=CC=CC=1

화학적 성질

Off-white powder

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29331990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 10-21
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도N,N'-Bis(benzyloxycarbonyl)-1H-pyrazole-1-carboxamidine is used as pharmaceutical intermediate.

상·하류 제품 정보

상류 원료

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Hangzhou Pharma & Chem Co., Ltd.+86-0571-87040515 +8613958180668 · [email protected]

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