에틸시클로프로판아민,2-(3,4-디플루오로페닐)-,(1R,2S)-(REACH)

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine

HCID 9834068

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 220352-38-5
표준 SMILES: N[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIKey: QVUBIQNXHRPJKK-IMTBSYHQSA-N
분자식: C9H9F2N
평균 분자량: 169.17 g/mol
단동위원소 질량: 169.07030573

이름 및 식별자

우선 이름: (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine
IUPAC: trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
현지명: 에틸시클로프로판아민,2-(3,4-디플루오로페닐)-,(1R,2S)-(REACH)
영어명: ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH)
분자식: C9H9F2N
분자량: 169.17

이름 및 동의어

220352-38-5(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamineOIY4B72TG1(1R,2S)-2-(3,4-difluorophenyl)cyclopropylamineUNII-OIY4B72TG1DTXSID704314432-(3,4-Difluorophenyl)cyclopropanamine, (1R,2S)-RefChem:68340DTXCID80382275606-906-81006614-49-8(1R,2S)-2-(3,4-DIFLUOROPHENYL)CYCLOPROPAN-1-AMINE

이름 더 보기

에틸시클로프로판아민,2-(3,4-디플루오로페닐)-,(1R,2S)-(REACH)TICAGRELOR EP IMP E(1R,2S)-2-(3,4-Difluorophenethyl)cyclopropanamineAmitriptyline Impurity 5( Amitriptyline EP Impurity E)ethyCyclopropanaMine, 2-(3,4-difluorophenyl)-, (1R,2S)-(1R,2S)-2-(3,4-Difluorophenyl)-cyclopropanamine mandelateethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH)C17H17F2NO3 ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH) 220352-38-5

MFCD16621156(1R,2S)-rel-2-(3,4-Difluorophenyl)cyclopropanamineCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rac-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine(1R,2S)-2-(3,4-DIFLUORO-PHENYL)-CYCLOPROPYLAMINECyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rel-(1R, 2S)-Rel-2-(3, 4-Difluorophenyl)cyclopropanamineTicagrelor Impurity E

데이터베이스 식별자

CAS: 220352-38-5
PubChem CID: 9834068
DTXSID: DTXSID70431443
ChEMBL: CHEMBL4589166
UNII: OIY4B72TG1
EC Number: 606-906-8
Nikkaji: J2.688.120J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

끓는 점: 212 ℃ · 212℃
밀도: 1.268 · 1.268
인화점: 103 ℃ · 103℃
저장 조건: 2 · 2-8°C(protect from light)
산도 계수 (pKa): 8.07 · 8.07±0.70(Predicted)
물리적 상태: 가루
색상: 옅은 노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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