2-(4-벤즈히드릴피페라진-1-일)에탄올

4-(Diphenylmethyl)-1-piperazineethanol

HCID 4742573CAS 10527-64-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIKey: QEYZAHKHYSGDJK-UHFFFAOYSA-N
분자식: C19H24N2O
평균 분자량: 296.4 g/mol
단동위원소 질량: 296.18886339

이름 및 식별자

우선 이름: 4-(Diphenylmethyl)-1-piperazineethanol
IUPAC: 2-(4-benzhydrylpiperazin-1-yl)ethanol
현지명: 2-(4-벤즈히드릴피페라진-1-일)에탄올
영어명: 2-(4-benzhydrylpiperazin-1-yl)ethanol
분자식: C19H24N2O
분자량: 296.41

이름 및 동의어

10527-64-7Cetirizine alcohol4-benzhydryl-1-piperazineethanol4-(Diphenylmethyl)-1-piperazineethanol1-Piperazineethanol, 4-(diphenylmethyl)-9AMR7XC6Q8RefChem:1985962-(4-benzhydrylpiperazin-1-yl)ethanol1-diphenylmethyl-4-(2-hydroxyethyl)piperazine2-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-ol2-(4-benzhydrylpiperazin-1-yl)ethan-1-olUNII-9AMR7XC6Q8

이름 더 보기

2-(4-벤즈히드릴피페라진-1-일)에탄올Cetirizine Impurity 2Manidipine Impurity 102-(4-benhdryl-piperazin-1-yl)-enthanol2-[4-(Diphenylmethyl)piperazin-1-yl]ethanolUSP Cetirizine Related Compound B (free base)Cetirizine USP-RC-B(free base)/Manidipine Impurity 1

MFCD06742676CETIRIZINE IMPURITY 46SCHEMBL1491229SCHEMBL7381083SCHEMBL8629042CHEMBL1254795QEYZAHKHYSGDJK-UHFFFAOYSA-NDTXSID401283035

데이터베이스 식별자

CAS: 10527-64-7
PubChem CID: 4742573
DTXSID: DTXSID401283035
ChEMBL: CHEMBL1254795
UNII: 9AMR7XC6Q8
EC Number: 812-114-5
Nikkaji: J313.863A

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 26.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 285

물리화학적 성질

끓는 점: 180 °C · 180 °C(Press: 0.01 Torr)
밀도: 1.115 · 1.115±0.06 g/cm3(Predicted)
증기압: 1.333 Pa · 1.333Pa at 180℃
산도 계수 (pKa): 14.96 · 14.96±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P330, P331, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.