CAS 208925-08-0 (1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-YL)ethanol (HCID 56600231)

기본 정보

CAS: 208925-08-0
표준 SMILES: CC1(C)OCc2cc([C@@H](O)CN)ccc2O1
InChIKey: XTAAANMPVNIYBF-JTQLQIEISA-N
분자식: C12H17NO3
평균 분자량: 223.27 g/mol

이름 및 식별자

우선 이름: (1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-YL)ethanol
IUPAC: (1R)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
영어명: (R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
분자식: C12H17NO3
분자량: 223.26828

이름 및 동의어

208925-08-0(1R)-2-Amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanolRefChem:393062695-691-4(R)-2-amino-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol(r)-2-amino-1-(2,2-dimethyl-4h-benzo[d][1,3]dioxin-6-yl)ethanol(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-olSCHEMBL1205580XTAAANMPVNIYBF-JTQLQIEISA-N(1R)-2-amino-1-(2,2-dimethyl-2,4-dihydro-1,3-benzodioxin-6-yl)ethan-1-olAC-30865CS-0166185

이름 더 보기

Vilanterol Impurity 4Vilanterol Impurity 364H-1,3-Benzodioxin-6-methanol, α-(aminomethyl)-2,2-dimethyl-, (αR)-(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-ol (Vilanterol Impurity）

H51484(1R)-2-amino-1-(2,2-dimethyl4H-1,3-benzodioxin-6-yl)ethanol(R)-2-Amino-1-(2,2-dimethyl-4H-benzo[d][1,3]dioxin-6-yl)ethan-1-ol (Vilanterol Impurity

데이터베이스 식별자

CAS: 208925-08-0
PubChem CID: 56600231
EC Number: 695-691-4
Nikkaji: J3.007.597H

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 64.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 244

물리화학적 성질

끓는 점: 404.7 · 404.7±45.0 °C(Predicted)
밀도: 1.165 · 1.165±0.06 g/cm3(Predicted)
용해도: soluble in Dichloromethane, Ethyl Acetate, Methanol
산도 계수 (pKa): 12.04 · 12.04±0.35(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.