CAS 13339-01-0 1-(2-Ethoxyphenyl)piperazine (HCID 83357)

기본 정보

CAS: 13339-01-0
표준 SMILES: CCOc1ccccc1N1CCNCC1
InChIKey: FBQIUSDQWOLCNY-UHFFFAOYSA-N
분자식: C12H18N2O
평균 분자량: 206.28 g/mol
단동위원소 질량: 206.1419132

이름 및 식별자

우선 이름: 1-(2-Ethoxyphenyl)piperazine
IUPAC: 1-(2-ethoxyphenyl)piperazine
현지명: 1-(2-에톡시페닐)피페라진
영어명: 1-(2-Ethoxyphenyl)piperazine
분자식: C12H18N2O
분자량: 206.28

이름 및 동의어

1-(2-Ethoxyphenyl)piperazine13339-01-01-(2-Ethoxy-phenyl)-piperazineMFCD01026120CHEMBL273923Piperazine,1-(2-ethoxyphenyl)-H04EINECS 236-389-0Oprea1_3565704(2-eth-oxyphenyl)piperazine2-ethoxy-1-piperazinylbenzeneSCHEMBL219349

이름 더 보기

1-(2-에톡시페닐)피페라진EhoxyphenylpiperazineLABOTEST-BB LT002331651-(2-Ehoxyphenyl)-piperazinePiperazine, 1-(2-ethoxyphenyl)-1-(2-Ethoxyphenyl)piperazine 97%

SCHEMBL255189N-(2-ethoxyphenyl)-piperazine1-(2-ethoxyphenyl)-piperazineSCHEMBL7524534SCHEMBL7524539N-(2-ethyoxyphenyl)-piperazine1-(2-Ethoxyphenyl)piperazine #DTXSID40928092

데이터베이스 식별자

CAS: 13339-01-0、83081-75-8
PubChem CID: 83357
DTXSID: DTXSID40928092
ChEMBL: CHEMBL273923
EC Number: 236-389-0、280-190-1
Nikkaji: J213.856E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 24.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 180

물리화학적 성질

끓는 점: 118 °C · 118 °C
밀도: 1.04 · 1.040±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]