4,4-디플루오로-L-프롤린아미드염산염

4,4-Difluoro-L-prolinamide hydrochloride

HCID 45158909CAS 426844-51-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cl.NC(=O)[C@@H]1CC(F)(F)CN1
InChIKey: RRQDQYAEZGKHOB-DFWYDOINSA-N
분자식: C5H9ClF2N2O
평균 분자량: 186.59 g/mol
단동위원소 질량: 186.0371469

이름 및 식별자

우선 이름: 4,4-Difluoro-L-prolinamide hydrochloride
IUPAC: (2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
현지명: 4,4-디플루오로-L-프롤린아미드염산염
영어명: 4,4-DIFLUORO-L-PROLINAMIDE HYDROCHLORIDE
분자식: C5H9ClF2N2O
분자량: 186.59

이름 및 동의어

4,4-Difluoro-L-prolinamide hydrochlorideRefChem:5072892-Pyrrolidinecarboxamide, 4,4-difluoro-, hydrochloride (1:1), (2S)-670-268-7426844-51-1(S)-4,4-Difluoropyrrolidine-2-carboxamide hydrochlorideMFCD06797014(2S)-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride4,4-Difluoro-l-prolinamide HClC5H9ClF2N2O(2S)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE4,4-DIFLUORO-L-PROLINAMIDE, HCL

이름 더 보기

4,4-디플루오로-L-프롤린아미드염산염(2S)-4,4-difluoropyrrolidine-2-carboxamide4,4-difluoro-l-prolineaminoamidehydrochloride(S)-4,4-difluoropyrrolidine-2-carboxamide HCl(2S)-4,4-difluoro-2-pyrrolidinecarboxamide, HCl(2S)-4,4-difluoro-L-proline amide hydrochloride-4,4-Difluoropyrrolidine-2-carboxamide hydrochloride

DTXSID70669800AKOS016844203(S)-4,4-Difluoropyrolidine-2-carboxamide hydrochlorideCS-00428484,4-Difluoro-L-prolinamide--hydrogen chloride (1/1)(2s)-4,4-difluoro-2-pyrrolidinecarboxamide hydrochloride(2S)-2-Aminocarbonyl-4,4-difluoropyrrolidine Hydrochloride; (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide Hydrochloride; (S)-4,4-Difluoropyrrolidine-2-carboxamide Hydrochloride;SCHEMBL1347345

데이터베이스 식별자

CAS: 426844-51-1
PubChem CID: 45158909
DTXSID: DTXSID70669800
EC Number: 670-268-7

물성

구조 계산 물성

극성 표면적: 55.1 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 160

물리화학적 성질

녹는점: 222 °C · 222°C
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 옅은 회색에서 밝은 회색까지
InChI: InChI=1/C5H8F2N2O.ClH/c6-5(7)1-3(4(8)10)9-2-5;/h3,9H,1-2H2,(H2,8,10);1H/t3-;/s3
InChIKey: RRQDQYAEZGKHOB-OQFXAWDINA-N
SMILES: C1[C@@H](C(N)=O)NCC1(F)F.Cl |&1:1,r|

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.