Piperazine-2-carboxylic acid

HCID 2723758

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2762-32-5
표준 SMILES: O=C(O)C1CNCCN1
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
분자식: C5H10N2O2
평균 분자량: 130.15 g/mol
단동위원소 질량: 130.07422756

개요

structure in first source

이름 및 식별자

우선 이름: Piperazine-2-carboxylic acid
IUPAC: piperazine-2-carboxylic acid
영어명: Piperazine-2-carboxylic acid
분자식: C5H10N2O2
분자량: 130.15

이름 및 동의어

Piperazine-2-carboxylic acid2762-32-5DTXSID70369095RefChem:929323DTXCID803201322-piperazinecarboxylic acidMFCD001328782-carboxypiperazine2-Piperazine carboxylic acidDS-1093STL183342AKOS005068016

이름 더 보기

DS-1043PRZCA-2HCLTIMTEC-BB SBB0035182-Piperazinecarboxylpiperazine-2-carboxylicaci(±)-2-Piperazinecarboxylic acid(±)-Piperazine-2-carboxylic acid(^+)-Piperazine-2-carboxylic acid

CS-W002409SB11107SB40749PIPERAZINE-2-CARBOXYLICACID(+/-)-Piperazine-2-carboxylic acidSCHEMBL162294orb2945987SCHEMBL1387717

데이터베이스 식별자

CAS: 2762-32-5
PubChem CID: 2723758
DTXSID: DTXSID70369095
EC Number: 681-729-7
Nikkaji: J135.636D

물성

구조 계산 물성

XLogP: -3.5
극성 표면적: 61.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 265 °C · 265 °C (dec.)(lit.)
끓는 점: 313.6 · 313.6±37.0 °C(Predicted)
밀도: 1.174 · 1.174
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 1.9 · 1.90±0.20(Predicted)
InChI: InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)
InChIKey: JSSXHAMIXJGYCS-UHFFFAOYSA-N
SMILES: N1CCNCC1C(O)=O

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

wgk: 3
HS 번호: 2933599590
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야 · 1건

용도Piperazine-2-carboxylic acid is an important organic compound used as a basic structural component of pharmaceutical intermediates. Studies have shown that Piperazine-2-carboxylic acid derivatives are a potential multi-targeted ligands (MTDLs) anti-Alzheimer's disease (AD) active ingredient.