AG00I9OT

5424-47-5 | 1-Propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride

AG00I9OT

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CAS Number	5424-47-5
Catalog Number	AG00I9OT(AGN-PC-0KMBQI)
Chemical Name	1-Propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride
IUPAC Name	3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
InChI	InChI=1S/C9H13NOS.ClH/c1-10(2)6-5-8(11)9-4-3-7-12-9;/h3-4,7H,5-6H2,1-2H3;1H
InChI Key	HPVHJPMLORARSR-UHFFFAOYSA-N
MDL Number	MFCD00126349
Molecular Formula	C9H14ClNOS
Molecular Weight	219.7316
NSC Number	12221
SMILES	O=C(C1=CC=CS1)CCN(C)C.[H]Cl
Synonyms	5424-47-5, 3-(dimethylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride, 3-(Dimethylamino)-1-(2-thienyl)-1-propanone Hydrochloride, 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride, 2-THIENYL-2-DIMETHYLAMINOETHYL KETONE HCL, MFCD00126349, 2-[3-(Dimethylamino)propionyl]thiophene Hydrochloride, 1-Propanone, 3-(dimethylamino)-1-(2-thienyl)-, hydrochloride, 2-Thienyl 2-(dimethylamino)ethyl ketone hydrochloride, 3-DIMETHYLAMINO-1-(2-THIENYL)-1-PROPANONE HCl, AE-641/00419049, AC1MEDYY, ACMC-209ler, BIM-0008383.P001, C9H14ClNOS, Cambridge id 5927860, SCHEMBL3303, CTK8B1865, DTXSID50386942, HPVHJPMLORARSR-UHFFFAOYSA-N, ACN-S003712, BCP08868, NSC12221, ANW-32017, NSC-12221, AKOS015964738, AC-1548, JS-3003, MCULE-7769845437, KS-00000N93, AK115467, AN-14847, BC218846, SY004008, AB0020669, AX8078731, TC-120762, D4011, FT-0759548, ST24041603, V1641, K-9789, MFCD00126349 (95+%), 424D475, 2-thienyl 2-dimethylaminoethyl ketone hydrochloride, 2-Thienyl-2-dimethylaminoethyl ketone hydrochloride, 3-(Dimethylamino)-1-(2-thienyl)-1-propanone, HC, 3-(Dimethylamino)-1-(2-thienyl)-1-propanone, HCl, 3-dimethylamino-1-(2-thienyl)propan-1-one hydrochloride, 3-(dimethylamino)-1-(2-thienyl)propan-1-one hydrochloride, 3-dimethylamino-1-(2-thienyl)-propan-1-one hydrochloride, 3-dimethylamino-1-(thien-2-yl)propan-1-one hydrochloride, 3-Dimethylamino-1-thiophen-2-yl-propan-1-one hydrochloride, 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one hydrochloride, 3-(dimethylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride, 1-(N,N-dimethylamino)-3-(2-thienyl)-propan-3-one hydrochloride, 3-(dimethylamino)-1-(thiophen-2-yl) propan-1-one hydrochloride, 3-(N, N-Dimethylamino)-1-(2-thienyl) propan-1-one hydrochloride, 3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-one--hydrogen chloride (1/1), CID2876891, CS-O-31598, 3-Dimethyl amino-1-(2-thienyl)-1-propanone hydrochloride,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.048g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.727g/mol
Monoisotopic Mass	219.048g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	48.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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