3-플루오로펜에틸아민

2-(3-Fluorophenyl)ethanamine

HCID 533928CAS 404-70-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCc1cccc(F)c1
InChIKey: AUCVZEYHEFAWHO-UHFFFAOYSA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol
단동위원소 질량: 139.07972754

이름 및 식별자

우선 이름: 2-(3-Fluorophenyl)ethanamine
IUPAC: 2-(3-fluorophenyl)ethanamine
현지명: 3-플루오로펜에틸아민
영어명: 3-Fluorophenethylamine
분자식: C8H10FN
분자량: 139.17

이름 및 동의어

2-(3-Fluorophenyl)ethanamineRefChem:455572628-207-73-Fluorophenethylamine404-70-62-(3-fluorophenyl)ethylamine2-(3-Fluoro-phenyl)-ethylamine2-(3-fluorophenyl)ethan-1-amineMFCD00075376CHEMBL446238benzeneethanamine, 3-fluoro-m-Fluorophenethylamine

이름 더 보기

3-플루오로펜에틸아민RARECHEM AL BW 02083-Fluoro-benzeneethanaMine3-Fluorophenethylamine ,99%2-(3-Fluorophenyl)ethylamine>3-FluorophenethylaMine, 99% 5GR3-FluorophenethylaMine, 99% 25GR1-Amino-2-(3-fluorophenyl)ethane

3-flourophenethylaminem-fluorophenylethylamine3-fluoro phenethylamine3-fluoro-phenethylamine3-fluorophenethyl amine3-fluorophenethyl-amine3-fluorophenylethylamine3-fluoro-phenethyl amine

데이터베이스 식별자

CAS: 404-70-6
PubChem CID: 533928
DTXSID: DTXSID50336462
ChEMBL: CHEMBL446238
EC Number: 628-207-7
Nikkaji: J545.483B

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 87 °C/15 · 87 °C/15 mmHg (lit.)
밀도: 1.066 g/mL · 1.066 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 181 °F · 181 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 9.65 · 9.65±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.066 · 1.066
색상: 무색~담황색 투명
InChI: 1S/C8H10FN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4-5,10H2
InChIKey: AUCVZEYHEFAWHO-UHFFFAOYSA-N
SMILES: NCCc1cccc(F)c1

화학적 성질

Clear colorless to pale yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H290 (11.1%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 2735 8/PG 2
HS 번호: 29214990
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 1건

용도3-Fluorophenethylamine may be used in the synthesis of:N-(3-florophenyl)ethylcaffeamide and its anti-inflammatory activity was evaluatedN-{2-[(3-fluorophenyl)ethyl]}-2-methylpropanamideN-(3′-fluorophenyl)ethyl-4-azahexacyclo[5.4.1.02,6.03,10.05,9.08,11]dodecan-3-ol