CAS 57699-88-4 Benzyl tert-butyl hydrazine-1,2-dicarboxylate (HCID 11288582)

기본 정보

CAS: 57699-88-4
표준 SMILES: CC(C)(C)OC(=O)NNC(=O)OCc1ccccc1
InChIKey: SBXLAJWMWLOZET-UHFFFAOYSA-N
분자식: C13H18N2O4
평균 분자량: 266.29 g/mol
단동위원소 질량: 266.12665706

이름 및 식별자

우선 이름: Benzyl tert-butyl hydrazine-1,2-dicarboxylate
IUPAC: benzyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
현지명: 1-벤질2-(tert-부틸)히드라진-1,2-디카르복실레이트
영어명: 1-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate
분자식: C13H18N2O4
분자량: 266.29

이름 및 동의어

57699-88-4DTXSID30461342Benzyl tert-butyl hydrazine-1,2-dicarboxylateRefChem:328713DTXCID204121611-Benzyl 2-(tert-butyl) hydrazine-1,2-dicarboxylate1-BENZYL 2-TERT-BUTYL HYDRAZINE-1,2-DICARBOXYLATE1-benzyl 2-(tert-butyl) 1,2-hydrazinedicarboxylate1-Boc-2-Cbz-hydrazineMFCD09752862benzyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamateN'-[(tert-butoxy)carbonyl](benzyloxy)carbohydrazide

이름 더 보기

1-벤질2-(tert-부틸)히드라진-1,2-디카르복실레이트N-Boc-N’-Cbz-hydrazineHydrazine, N-BOC, N'-CBZ protected1,2-Hydrazinedicarboxylic acid, 1-(1,1-diMethylethyl) 2-(phenylMethyl) ester

N-Boc-N'-Cbz-hydrazineN'-[(tert-bN-Cbz-N'-Boc-hydrazine1,2-Hydrazinedicarboxylic acid, 1,1-dimethylethyl phenylmethyl ester1-Benzyl2-(tert-butyl)hydrazine-1,2-dicarboxylateSCHEMBL4212861-benzyl 2-(tert-butyl)hydrazine-1,2-dicarboxylateSCHEMBL10736434

데이터베이스 식별자

CAS

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 76.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 79 · 79-80
끓는 점: 378.9 · 378.9±21.0 °C(Predicted)
밀도: 1.16 · 1.160±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 결정성 분말
산도 계수 (pKa): 8.85 · 8.85±0.43(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.