4-(5-카르복시-피리딘-2-일)-피페라진-1-카르복시산tert-부틸에스테르

6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acid

HCID 2771823

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 201809-22-5
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1
InChIKey: PWYGTZUOLAGDNK-UHFFFAOYSA-N
분자식: C15H21N3O4
평균 분자량: 307.34 g/mol
단동위원소 질량: 307.15320615

이름 및 식별자

우선 이름: 6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acid
IUPAC: 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid
현지명: 4-(5-카르복시-피리딘-2-일)-피페라진-1-카르복시산tert-부틸에스테르
영어명: 4-(5-Carboxy-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester
분자식: C15H21N3O4
분자량: 307.34

이름 및 동의어

6-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}pyridine-3-carboxylic acid6-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)pyridine-3-carboxylic acidRefChem:539351975-530-7201809-22-56-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acidMFCD062455434-(5-Carboxy-pyridin-2-yl)-piperazine-1-carboxylic acid tert-butyl ester6-[4-(tert-Butoxycarbonyl)piperazin-1-yl]nicotinic acid6-[4-(tert-Butoxycarbonyl)piperazino]-nicotinic acid6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-3-carboxylic acid6-(4-Boc-1-piperazinyl)nicotinic Acid

이름 더 보기

4-(5-카르복시-피리딘-2-일)-피페라진-1-카르복시산tert-부틸에스테르N4-BOC-6-PIPERAZIN-1-YLNICOTINIC ACID6-Piperazin-1-ylnicotinic acid, N4-BOC protected6-(4-Boc-piperazin-1-yl)pyridine-3-carboxylic acid6-[4-(tert-butoxycarbonyl)piperazino]nicotinic acid6-Piperazin-1-ylnicotinic acid, N4-BOC protected 97%6-[4-(PIPERAZIN-1-YL)]NICOTINIC ACID, N4-BOC PROTECTED

Boc-piperazine-pyridine-COOHSCHEMBL634841-Piperazinecarboxylic acid, 4-(5-carboxy-2-pyridinyl)-, 1-(1,1-dimethylethyl) esterCC-08081-(1,1-Dimethylethyl) 4-(5-carboxy-2-pyridinyl)-1-piperazinecarboxylate2-(4-BOC-Piperazino)pyridine-5-carboxylic acid6-(4-Boc-1-piperazinyl)pyridine-3-carboxylic acid6-(4-(tert-Butoxycarbonyl)piperazin-1-yl)nicotinic acid 95%

데이터베이스 식별자

CAS: 201809-22-5
PubChem CID: 2771823
DTXSID: DTXSID60378111
EC Number: 975-530-7

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 83 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 414

물리화학적 성질

녹는점: 298 °C · 298 °C
끓는 점: 497.4 · 497.4±45.0 °C(Predicted)
밀도: 1.25 · 1.250±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 3.12 · 3.12±0.10(Predicted)

화학적 성질

White solid

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.