AG00C1VN

21666-68-2 | 1-Cyclopropyl-3-(dimethylamino)-2-propen-1-one

AG00C1VN

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CAS Number	21666-68-2
Catalog Number	AG00C1VN(AGN-PC-019XV8)
Chemical Name	1-Cyclopropyl-3-(dimethylamino)-2-propen-1-one
IUPAC Name	(E)-1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one
InChI	InChI=1S/C8H13NO/c1-9(2)6-5-8(10)7-3-4-7/h5-7H,3-4H2,1-2H3/b6-5+
InChI Key	DSYKNHAWLDLWBM-AATRIKPKSA-N
MDL Number	MFCD11840950
Molecular Formula	C8H13NO
Molecular Weight	139.1949
SMILES	O=C(C1CC1)/C=C/N(C)C
Synonyms	21666-68-2, 1-cyclopropyl-3-(dimethylamino)-2-propen-1-one, (2E)-1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one, (E)-1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one, 1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one, 1-(Cyclopropyl)-3-dimethylaminoprop-2-en-1-one, cyclopropyldimethylaminopropenone, SCHEMBL2355165, SCHEMBL2355171, DSYKNHAWLDLWBM-AATRIKPKSA-N, ZINC2537702, MFCD11840950, AKOS005071184, AM86764, RP09808, AJ-38720, TR-010179, C-4373, 7T-0237, J-501825, 1207839-99-3, 1-cyclopropyl-3- -2-propen-1-one, ZINC02537702, CID10396915, (2Z)-1-cyclopropyl-3-(dimethylamino)prop-2-en-1-one,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	139.1g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	139.198g/mol
Monoisotopic Mass	139.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317-H319
Packing Group
Precautionary statements	P280-P301+P312+P330-P305+P351+P338-P333+P313-P337+P313
UN Code

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