CAS 374898-01-8 (1R)-(+)-1-(4-Fluorophenyl)ethylamine (HCID 6950187)

기본 정보

CAS: 374898-01-8
표준 SMILES: C[C@@H](N)c1ccc(F)cc1
InChIKey: QGCLEUGNYRXBMZ-ZCFIWIBFSA-N
분자식: C8H10FN
평균 분자량: 139.17 g/mol
단동위원소 질량: 139.07972754

이름 및 식별자

우선 이름: (1R)-(+)-1-(4-Fluorophenyl)ethylamine
IUPAC: (1R)-1-(4-fluorophenyl)ethanamine
현지명: (R)-1-(4-플루오로페닐)에틸아민
영어명: (R)-1-(4-Fluorophenyl)ethylamine
분자식: C8H10FN
분자량: 139.17

이름 및 동의어

(1R)-(+)-1-(4-Fluorophenyl)ethylamineRefChem:392766(+)-1-(4-Fluorophenyl)ethylamine662-942-4374898-01-8(R)-1-(4-fluorophenyl)ethanamine(R)-1-(4-Fluorophenyl)ethylamine(1R)-1-(4-fluorophenyl)ethanamine(r)-(+)-1-(4-fluorophenyl)ethylamineMFCD03093090(R)-1-(4-FLUOROPHENYL)-ETHYLAMINE(1R)-1-(4-fluorophenyl)ethan-1-amine

이름 더 보기

(R)-1-(4-플루오로페닐)에틸아민(R)-1-(4-fluorophenyl)ethan-1-amineR-PF-PEM(R)-1-(4-Fluorophenyl)ethyla(R)-1-(4-Fluorphenyl)ethylaMine(r)-4-fluoro-à-methylbenzylamine(R)-4-Fluoro-α-methylbenzylamine(R)-α-Methyl-4-fluorobenzylaMine

SCHEMBL516801SCHEMBL2579021SCHEMBL4067909DTXSID20426187CS-D0231(1R)-1-(4-fluorophenyl)ethylamine(R)-1-(4-fluoro-phenyl)ethylamine4-fluoro-alpha-(R)-methylbenzylamine

데이터베이스 식별자

CAS: 374898-01-8
PubChem CID: 6950187
DTXSID: DTXSID20426187
EC Number: 662-942-4
Nikkaji: J1.372.616G

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 97.4

물리화학적 성질

녹는점: -30 °C · -30°C
끓는 점: 76 °C · 76°C 22mm
밀도: 1 · 1,03 g/cm3
굴절률: 1.501 · 1.501
인화점: 76 °C/22mm · 76°C/22mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 8.98 · 8.98±0.10(Predicted)
물리적 상태: 액체
색상: 무색
수용성: 물에 거의 용해되지 않습니다(1.5E-3 g/L)(25°C).
BRN: 8614058 · 8614058
InChI: 1S/C8H10FN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey: QGCLEUGNYRXBMZ-ZCFIWIBFSA-N
SMILES: C[C@@H](N)c1ccc(F)cc1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P333+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.