Benzenamine, 4-propoxy-

HCID 78221CAS 4469-80-1

기본 정보

표준 SMILES: CCCOc1ccc(N)cc1
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

이름 및 식별자

우선 이름: Benzenamine, 4-propoxy-
IUPAC: 4-propoxyaniline
영어명: 4-PROPOXYANILINE
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

4-Propoxyaniline4469-80-1Benzenamine, 4-propoxy-4-propoxybenzenamineEINECS 224-740-0DTXSID6063486RefChem:561906DTXCID3040352224-740-0p-Propoxyaniline4-n-PropoxyanilineMFCD00043621

이름 더 보기

AKOS BBB/084AKOS BC-2570TIMTEC-BB SBB0083164-propoxy-benzenamin

4-propoxyaniline hydrochloride4-propoxyphenylamineEN300-619364-Propyloxyaniline4-Propoxyaniline #Aniline, p-propoxy-4-propoxy-phenylamine3EW35D3AFQ

데이터베이스 식별자

CAS: 4469-80-1
PubChem CID: 78221
DTXSID: DTXSID6063486
UNII: 3EW35D3AFQ
EC Number: 224-740-0
Nikkaji: J205.851K

물성

구조 계산 물성

XLogP: 2
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 97

물리화학적 성질

녹는점: 265 · 265-267℃
끓는 점: 261.7 · 261.7±13.0℃ (760 Torr)
밀도: 1.016 · 1.016±0.06 g/cm3 (20 ºC 760 Torr)
인화점: 230 °F · >230 °F
용해도: 약간 용해됨(25°C에서 1.3g/L).
물리적 상태: 액체
산도 계수 (pKa): 5.24 · 5.24±0.10(Predicted)
색상: 갈색
InChI: InChI=1S/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCC)C=C1
EPA: 4 · Benzenamine, 4-propoxy- (4469-80-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.