1-아자비시클로[2.2.2]옥탄-4-메탄올,α,α-디페닐-

1-Azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol

HCID 23992385CAS 461648-39-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC(c1ccccc1)(c1ccccc1)C12CCN(CC1)CC2
InChIKey: VUUAKOZGGDHCRP-UHFFFAOYSA-N
분자식: C20H23NO
평균 분자량: 293.4 g/mol

이름 및 식별자

우선 이름: 1-Azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol
IUPAC: 1-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanol
현지명: 1-아자비시클로[2.2.2]옥탄-4-메탄올,α,α-디페닐-
영어명: 1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-
분자식: C20H23NO
분자량: 293.4

이름 및 동의어

461648-39-51-azabicyclo[2.2.2]oct-4-yl(diphenyl)methanol1-Azabicyclo(2.2.2)oct-4-yl(diphenyl)methanolRefChem:429483691-095-3diphenyl(quinuclidin-4-yl)methanol(1-Azabicyclo[2.2.2]oct-4-yl)(diphenyl)methanolMFCD032573031-azabicyclo[2.2.2]octan-4-yl(diphenyl)methanolDiphenyl(4-quinuclidinyl)methanolUmeclidinium Impurity 101-Azabicyclo[2.2.2]octane-4-methanol, alpha,alpha-diphenyl-

이름 더 보기

1-아자비시클로[2.2.2]옥탄-4-메탄올,α,α-디페닐-Intermediate of Wudi ammonium bromide(1-azacyclo [2.2.2] oct-4-yl) (diphenyl) methanolα,α-diphenyl-1-azabicyclo[2.2.2]octane-4-methanol(1-Azabicyclo[2.2.2]octan-4-yl)(diphenyl)methanol1-Azabicyclo[2.2.2]octane-4-Methanol, α,α-diphenyl-

Umecium bromide 10Fampridine Impurity 18Oprea1_569800SCHEMBL3984030Umeclidinium Bromide Impurity 4CHEMBL1186757VUUAKOZGGDHCRP-UHFFFAOYSA-NCS-M1579

데이터베이스 식별자

CAS: 461648-39-5
PubChem CID: 23992385
ChEMBL: CHEMBL1186757
EC Number: 691-095-3

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 22
형식 전하: 0
복잡도: 341

물리화학적 성질

녹는점: 180 °C · >180°C (dec.)
끓는 점: 440.3 · 440.3±25.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 13.34 · 13.34±0.29(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.