3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride

HCID 2876891CAS 5424-47-5

기본 정보

표준 SMILES: CN(C)CCC(=O)c1cccs1.Cl
InChIKey: HPVHJPMLORARSR-UHFFFAOYSA-N
분자식: C9H14ClNOS
평균 분자량: 219.73 g/mol
단동위원소 질량: 219.0484629

이름 및 식별자

우선 이름: 3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride
IUPAC: 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride

이름 및 동의어

3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochlorideRefChem:495017611-117-75424-47-53-(Dimethylamino)-1-(2-thienyl)-1-propanone Hydrochloride3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride2-[3-(Dimethylamino)propionyl]thiophene HydrochlorideMFCD001263491-Propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochlorideNSC-122212-thienyl 2-dimethylaminoethyl ketone hydrochloride

이름 더 보기

3-(DIMETHYLAMINO)-1-(2-THIENYL)-1-PROPANONE HCLBIM-0008383.P001Cambridge id 5927860DTXSID50386942HPVHJPMLORARSR-UHFFFAOYSA-N4DT8UA8475NSC12221NSC 12221

데이터베이스 식별자

CAS: 5424-47-5
PubChem CID: 2876891
DTXSID: DTXSID50386942
UNII: 4DT8UA8475
EC Number: 611-117-7

물성

구조 계산 물성

극성 표면적: 48.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 159

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (11.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (11.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (11.1%)；Skin Irrit. 2 (88.9%)；Skin Sens. 1 (11.1%)；Eye Dam. 1 (11.1%)；Eye Irrit. 2 (88.9%)；Acute Tox. 4 (11.1%)；STOT SE 3 (88.9%)