3-디메틸아미노-1-페닐-프로판-1-올

3-(Dimethylamino)-1-phenylpropan-1-ol

HCID 110665CAS 36296-95-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)CCC(O)c1ccccc1
InChIKey: VELGOYBSKBKQFF-UHFFFAOYSA-N
분자식: C11H17NO
평균 분자량: 179.26 g/mol
단동위원소 질량: 179.13101416

이름 및 식별자

우선 이름: 3-(Dimethylamino)-1-phenylpropan-1-ol
IUPAC: 3-(dimethylamino)-1-phenylpropan-1-ol
현지명: 3-디메틸아미노-1-페닐-프로판-1-올
영어명: 3-dimethylamino-1-phenyl-propan-1-ol
분자식: C11H17NO
분자량: 179.26

이름 및 동의어

3-(dimethylamino)-1-phenylpropan-1-olDTXSID30970883RefChem:495019DTXCID50896359611-283-05554-64-33-Dimethylamino-1-phenyl-propan-1-olN,N-Dimethyl-3-phenyl-3-hydroxypropylamine3-Dimethylamino-1-phenyl-1-propanolMFCD000911353-(DIMETHYLAMINO)-1-PHENYL-1-PROPANOLN,N-dimethyl-3-phenyl-3-hydroxy-propanamine

이름 더 보기

3-디메틸아미노-1-페닐-프로판-1-올1-Phenyl-3-(dimethylamino)-1-propanolα-[2-(Dimethylamino)ethyl]benzenemethanolN,N-Dimethyl-3-hydroxy-3-phenylpropylamine3-Hydroxy-n,n-dimethyl-3-phenyl propylamineBenzeneMethanol, a-[2-(diMethylaMino)ethyl]-Benzenemethanol, α-[2-(dimethylamino)ethyl]-

Atomoxetine Impurity 203-dimethylamino-1-phenylpropan-1-ol3-(Dimethylamino)-1-phenyl-propan-1-olUSAF EL-801-Propanol, 3-dimethylamino-1-phenyl-36296-95-4Oprea1_048909Oprea1_362931

데이터베이스 식별자

CAS: 36296-95-4、5554-64-3
PubChem CID: 110665
DTXSID: DTXSID30970883
ChEMBL: CHEMBL120990
EC Number: 611-283-0、803-405-8
Nikkaji: J50.974D

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 130

실험 및 물리화학적 성질

Solubility13.3 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 47 · 47-48℃
끓는 점: 128 · 128-130℃ (3 Torr)
밀도: 1.011 · 1.011±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.21 · 14.21±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Warning

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

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 4 (100%)

Skin Irrit. 2 (100%)

안전 데이터

HS 번호: 2921490090

화학 및 산업

응용 분야 · 1건

용도3-Dimethylamino-1-phenyl-1-propanol is a useful synthetic intermediate. It can be used to prepare phenoxyphenyl diamine-based histamine H3 antagonists with serotonin reuptake inhibitor activities. It is also used to synthesize indolyl aryl propanamines as dual acting norepinephrine and serotonin reuptake inhibitors.