1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)

HCID 92844CAS 879-72-1

기본 정보

표준 SMILES: CN(C)CCC(=O)c1ccccc1.Cl
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
분자식: C11H16ClNO
평균 분자량: 213.7 g/mol
단동위원소 질량: 213.09204181

이름 및 식별자

우선 이름: 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
IUPAC: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
영어명: 3-DIMETHYLAMINOPROPIOPHENONE HYDROCHLORIDE
분자식: C11H16ClNO
분자량: 213.7

이름 및 동의어

879-72-13-(Dimethylamino)propiophenone hydrochlorideNSC 891-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloridebeta-Dimethylaminopropiophenone hydrochlorideEINECS 212-909-1NSC 31269Propiophenone, 3-(dimethylamino)-, hydrochlorideDTXSID90612531-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)RefChem:77162DTXCID8048604

이름 더 보기

á-dapbeta-DAPNSC 629913LABOTEST-BB LT004544263-(DIMETHYLAMINO)PROPIOPHENONEHCLBETA-DIMETHYLAMINOPROPIOPHENONE HCL-DimethylaminopropiophenoneHydrochlorideB-DimethylaminopropiophenoneHydrochloride3-(dimethylamino)-1-phenylpropan-1-one HCl

UN2811betaDimethylaminopropiophenone hydrochloridePropiophenone, 3(dimethylamino), hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride1Propanone, 3(dimethylamino)1phenyl, hydrochloride (1:1)212-909-13-(dimethylamino)-1-phenylpropan-1-one hydrochloride3-Dimethylaminopropiophenone hydrochloride

데이터베이스 식별자

CAS: 879-72-1
PubChem CID: 92844
DTXSID: DTXSID9061253
ChEMBL: CHEMBL528663
EC Number: 212-909-1

물성

구조 계산 물성

극성 표면적: 20.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 159

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

Physical DescriptionWhite odorless crystalline powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 150 · 150-155 °C(lit.)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 거의 투명함
BRN: 3568398 · 3568398
InChI: InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey: DKNDBIIKSJWQFL-UHFFFAOYSA-N
SMILES: C(C1=CC=CC=C1)(=O)CCN(C)C.[H]Cl
EPA: 1 · 1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (879-72-1)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UH0600000
ridadr: UN 2811 6.1/PG 3
HS 번호: 29223900
risk_code: 25-36/38
hazard_code: T
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 6.1
F 고인화성물질: 3
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects