CAS 50606-31-0 Methyl piperazine-1-carboxylate (HCID 142729)

기본 정보

CAS: 50606-31-0
표준 SMILES: COC(=O)N1CCNCC1
InChIKey: ZPJZSEHCMJYUPI-UHFFFAOYSA-N
분자식: C6H12N2O2
평균 분자량: 144.17 g/mol
단동위원소 질량: 144.08987763

이름 및 식별자

우선 이름: Methyl piperazine-1-carboxylate
IUPAC: methyl piperazine-1-carboxylate
영어명: METHYL PIPERAZINE-1-CARBOXYLATE
분자식: C6H12N2O2
분자량: 144.17

이름 및 동의어

Methyl piperazine-1-carboxylateRefChem:818049674-080-650606-31-01-Piperazinecarboxylic acid, methyl ester1-(methoxycarbonyl)piperazineMethyl 1-piperazinecarboxylateMFCD06411658METHYLPIPERAZINE-1-CARBOXYLATEPiperazine-1-carboxylic acid methyl esterBuspirone Impurity 371-carbomethoxypiperazine

이름 더 보기

Methylpiperzine-1-carboxylateMethyl piperazin-1-carboxylate2-methyl-1-piperazinecarboxylateMethylpiperazine-1-Carboxylate，≥98%Methylpiperazine-1-carboxylate ,97%METHYL PIPERAZINE-1-CARBOXYLATE ISO 9001：2015 REACH

Piperazine Impurity 431-carbomethoxy piperazinen-methoxycarbonylpiperazineSCHEMBL6120SCHEMBL6721SCHEMBL316937methyl piperazine-4-carboxylateSCHEMBL3891537

데이터베이스 식별자

CAS: 50606-31-0
PubChem CID: 142729
DTXSID: DTXSID00198653
ChEMBL: CHEMBL4535389
EC Number: 674-080-6
Nikkaji: J1.282.146H

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 41.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 173 · 173-175 °C
끓는 점: 112 · 112-116 °C(Press: 7 Torr)
밀도: 1.099 · 1.099±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 액체
산도 계수 (pKa): 8.45 · 8.45±0.10(Predicted)
색상: 무색
InChI: InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKey: ZPJZSEHCMJYUPI-UHFFFAOYSA-N
SMILES: N1(C(OC)=O)CCNCC1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (97.6%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.6%)

안전 데이터

wgk: WGK 3
HS 번호: 2933599590
risk_code: 36
hazard_code: Xi
safety_code: 26
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도1-(Methoxycarbonyl)piperazine is used in the synthesis of piperazine derivatives as kinase inhibitors for the treatment of diabetes, diabetic complications and other dieases.