Di-tert-butyl Iminodicarboxylate

HCID 279800CAS 51779-32-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)NC(=O)OC(C)(C)C
InChIKey: XCAQIUOFDMREBA-UHFFFAOYSA-N
분자식: C10H19NO4
평균 분자량: 217.26 g/mol
단동위원소 질량: 217.13140809

개요

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이름 및 식별자

우선 이름: Di-tert-butyl Iminodicarboxylate
IUPAC: tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
영어명: Di-tert-butyl iminodicarboxylate
분자식: C10H19NO4
분자량: 217.26

이름 및 동의어

Di-tert-butyl IminodicarboxylateImidodicarbonic acid, bis(1,1-dimethylethyl) esterDTXSID70299500RefChem:586105DTXCID70250636672-427-651779-32-9Di-t-butyl iminodicarboxylateDi-tert-butyl-iminodicarboxylateBis(tert-butoxycarbonyl)amineMFCD00043309N-Boc-tert-butylcarbamate

이름 더 보기

(BOC)2NHDBNHDi-Boc Amine(BOC)2NH FLUKAIminodicarboxyL

tert-Butyl iminodicarboxylatedi-tert-butyl imidodicarbonateDi-tert-butyliminodicarboxylatetert-butyl N-[(tert-butoxy)carbonyl]carbamatedi-tert-butyl iminodicarbonatetert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate85M4Q7458HIminodicarboxylic Acid Di-tert-butyl Ester

데이터베이스 식별자

CAS: 51779-32-9
PubChem CID: 279800
DTXSID: DTXSID70299500
UNII: 85M4Q7458H
EC Number: 672-427-6
Nikkaji: J435.988G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 64.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 15
형식 전하: 0
복잡도: 221

물리화학적 성질

녹는점: 114 · 114-117 °C(lit.)
끓는 점: 273.8 · 273.8±9.0 °C(Predicted)
밀도: 1.037 · 1.037±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 8.25 · 8.25±0.46(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 베이지색
수용성: 물에 불용성.
BRN: 1911172 · 1911172
InChI: InChI=1S/C10H19NO4/c1-9(2,3)14-7(12)11-8(13)15-10(4,5)6/h1-6H3,(H,11,12,13)
InChIKey: XCAQIUOFDMREBA-UHFFFAOYSA-N
SMILES: C(C)(C)(C)OC(=O)NC(=O)OC(C)(C)C

화학적 성질

White to beige crystalline 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationImidodicarbonic acid, bis(1,1-dimethylethyl) ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)