o-Aminophenethyl alcohol

2-AMINOPHENETHYL ALCOHOL · 2-(2-AMINOPHENYL)ETHANOL · O-phenyl ethanol · 2-AminophenethyL · 2-AMINOPHENETHANOL · 2-Aminophenylethanol · 2-aminobenzeneethanol · 2-amino-benzeneethano

https://huagongshe.com/ko/chemical/79282

식별자 및 물리적 특성

CAS No.	5339-85-5
분자식	C8H11NO
평균 분자량	137.18 g/mol
단동위원소 질량	137.08406397 g/mol
SMILES	Nc1ccccc1CCO
InChIKey	ILDXSRFKXABMHH-UHFFFAOYSA-N
PubChem CID	79282
ChEMBL	CHEMBL4095436
EC No.	226-275-9
DTXSID	DTXSID20201557

화학 및 물리적 성질

XLogP	0.5
극성 표면적	46.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	2
무거운 원자 수	10
형식 전하	0
복잡도	95.3
녹는점	140-145 °C
끓는 점	147-148 °C/3.5 mmHg (lit.)
밀도	1.045 g/mL at 25 °C (lit.)
굴절률	n20/D 1.588(lit.)
인화점	>230 °F
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태	투명한 액체
pKa(산도 계수)	14.81±0.10(Predicted)
색상	Light yellow to Yellow to Orange
InChI	InChI=1S/C8H11NO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6,9H2
InChIKey	ILDXSRFKXABMHH-UHFFFAOYSA-N
SMILES	C1(CCO)=CC=CC=C1N
NIST	Benzeneethanol, 2-amino-(5339-85-5)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.4% (1 of 70) of reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 70 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (40%)
수질 위해 등급(WGK)	3
관세 코드	2922190090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-37/39
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

2-Aminophenethyl alcohol was used in the synthesis of:indole derivativesN-(cyanothioformyl)indolinedihydro-3,1-benzoxazepine

일반 설명

2-Aminophenethyl alcohol undergoes one-pot cyclization with carboxylic acids in the presence of PPh3, CCl4 and NEt3 to yield N-acyl indolines.