(2-(4-Fluorophenyl)ethyl)(methyl)amine

HCID 120234

노트 반응

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기본 정보

CAS: 459-28-9
표준 SMILES: CNCCc1ccc(F)cc1
InChIKey: NCBPDSPIVAMJIT-UHFFFAOYSA-N
분자식: C9H12FN
평균 분자량: 153.2 g/mol
단동위원소 질량: 153.0953776

이름 및 식별자

우선 이름: (2-(4-Fluorophenyl)ethyl)(methyl)amine
IUPAC: 2-(4-fluorophenyl)-N-methylethanamine
영어명: 10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINE
분자식: C9H12FN
분자량: 153.2

이름 및 동의어

[2-(4-fluorophenyl)ethyl](methyl)amine(2-(4-Fluorophenyl)ethyl)(methyl)amineRefChem:394969819-778-52-(4-fluorophenyl)-N-methylethanamine459-28-9[2-(4-fluoro-phenyl)-ethyl]-methyl-amineP-FLUORO-N-METHYLPHENETHYLAMINEN-Methyl-p-fluorophenethylamineH3YJB6ELXEPhenethylamine, p-fluoro-N-methyl-MFCD06738717

이름 더 보기

4-Fluoro-N-methylbenzeneethanamineBenzeneethanamine,4-fluoro-N-methyl-

[2-(4-fluorophenyl)ethyl]methylamine10018 2-(4-FLUORO PHENYL)-N-METHYL ETHANAMINECHEMBL476324N-[2-(4-Fluorophenyl)ethyl]-N-methylamineBENZENEETHANAMINE, 4-FLUORO-N-METHYL-UNII-H3YJB6ELXEN-methyl-4-fluorophenethylamine2-(4-fluorophenyl)-N-methyl-ethanamine

데이터베이스 식별자

CAS: 459-28-9
PubChem CID: 120234
DTXSID: DTXSID80276226
ChEMBL: CHEMBL476324
UNII: H3YJB6ELXE
EC Number: 819-778-5
Nikkaji: J71.167E

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 97.7

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.