AG003A0J

471915-89-6 | N-[2-(3,4-Dihydroxyphenyl)ethyl]-2-methyl-2-propenamide

AG003A0J

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CAS Number	471915-89-6
Catalog Number	AG003A0J(AGN-PC-07AFMR)
Chemical Name	N-[2-(3,4-Dihydroxyphenyl)ethyl]-2-methyl-2-propenamide
IUPAC Name	N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methylprop-2-enamide
InChI	InChI=1S/C12H15NO3/c1-8(2)12(16)13-6-5-9-3-4-10(14)11(15)7-9/h3-4,7,14-15H,1,5-6H2,2H3,(H,13,16)
InChI Key	NQIMONOHVBBZKE-UHFFFAOYSA-N
MDL Number	MFCD18816134
Molecular Formula	C12H15NO3
Molecular Weight	221.2524
SMILES	OC=1C=C(C=CC1O)CCNC(C(=C)C)=O
Synonyms	471915-89-6, n-(3,4-dihydroxyphenethyl)methacrylamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methyl-2-propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methylprop-2-enamide, dopamine methacrylamide, SCHEMBL400288, AS-69801, 2-Propenamide, N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methyl- (9CI), N-[2-(3,4-dihydroxyphenyl)ethyl]-2-methyl-2-Propenamide,,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.105193g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	221.25g/mol
Monoisotopic Mass	221.105193g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	69.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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