4-클로로카보닐-피페라진-1-카복실산tert-부틸에스테르

Tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylate

HCID 11334154

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59878-28-3
표준 SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)Cl)CC1
InChIKey: NCIQNWYJLAAFAH-UHFFFAOYSA-N
분자식: C10H17ClN2O3
평균 분자량: 248.7 g/mol
단동위원소 질량: 248.09277008

이름 및 식별자

우선 이름: Tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-carbonochloridoylpiperazine-1-carboxylate
현지명: 4-클로로카보닐-피페라진-1-카복실산tert-부틸에스테르
영어명: 4-Chlorocarbonyl-piperazine-1-carboxylic acid tert-butyl ester
분자식: C10H17ClN2O3
분자량: 248.71

이름 및 동의어

tert-butyl 4-(chlorocarbonyl)piperazine-1-carboxylateRefChem:893838861-093-94-Boc-1-piperazinecarbonyl Chloride59878-28-3MFCD09028534Tert-butyl 4-carbonochloridoylpiperazine-1-carboxylatetert-butyl 4-chlorocarbonylpiperazine-1-carboxylateTert-butyl 4-(carbonochloridoyl)piperazine-1-carboxylate4-chlorocarbonyl-piperazine-1-carboxylic acid tert-butyl ester1-Piperazinecarboxylic acid, 4-(chlorocarbonyl)-, 1,1-dimethylethyl ester4-Boc-1-piperazinecarbonylChloride

이름 더 보기

4-클로로카보닐-피페라진-1-카복실산tert-부틸에스테르4-BOC-Piperazine-1-carbonyl chlorideert-butyl4-carbonochloridoylpiperazine-1-carboxylate

tert-butyl 4-chlorocarbonyl-1-piperazinecarboxylateSCHEMBL4857721-Boc-4-chlorocarbonylpiperazineDTXSID50462710NCIQNWYJLAAFAH-UHFFFAOYSA-N1-Boc-4-(chlorocarbonyl)piperazineJCA87828AB6598

데이터베이스 식별자

CAS: 59878-28-3
PubChem CID: 11334154
DTXSID: DTXSID50462710
EC Number: 861-093-9

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 49.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 280

물리화학적 성질

끓는 점: 354.5 · 354.5±31.0 °C(Predicted)
밀도: 1.231 · 1.231±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -0.41 · -0.41±0.70(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.