AG00D85G

5432-53-1 | 4-(4-DIMETHYLAMINO-PHENYL)-BUT-3-EN-2-ONE

AG00D85G

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CAS Number	5432-53-1
Catalog Number	AG00D85G(AGN-PC-0JM1AP)
Chemical Name	4-(4-DIMETHYLAMINO-PHENYL)-BUT-3-EN-2-ONE
IUPAC Name	(E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one
InChI	InChI=1S/C12H15NO/c1-10(14)4-5-11-6-8-12(9-7-11)13(2)3/h4-9H,1-3H3/b5-4+
InChI Key	IAMOQOMGCKCSEJ-SNAWJCMRSA-N
MDL Number	MFCD00052839
Molecular Formula	C12H15NO
Molecular Weight	189.2536
NSC Number	11433
SMILES	CC(/C=C/C1=CC=C(N(C)C)C=C1)=O
Synonyms	4-(4-N,N-dimethylaminophenyl)but-3-en-2-one, 4-(4-N,N-dimethylaminophenyl)but-3-en-2-one, (E)-isomer, DMAPB, 5432-53-1, 4-(4-(Dimethylamino)phenyl)-3-buten-2-one, 4-(4-(Dimethylamino)phenyl)but-3-en-2-one, (3E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one, 4-[4-(dimethylamino)phenyl]but-3-en-2-one, 3-Buten-2-one, 4-[4-(dimethylamino)phenyl]-, DMAPB, 4-[4-(Dimethylamino)phenyl]-3-buten-2-one, 3-Buten-2-one, 4-(4-(dimethylamino)phenyl)-, 4-(4-dimethylaminophenyl)but-3-en-2-one, AC1LEIFV, AI3-31810, AC1Q5BJP, AC1Q5CPN, (E)-4-(4-dimethylaminophenyl)but-3-en-2-one, 4-(4-N,N-Dimethylaminophenyl)but-3-en-2-one, p-Dimethylamino-benzalaceton, CHEMBL104539, IAMOQOMGCKCSEJ-SNAWJCMRSA-N, (p-Dimethylaminobenzylidene)acetone, ZINC159652, NSC11433, ZX-AT024712, 7824AB, BBL028051, FCH917099, MFCD00052839, NSC-11433, SBB017113, STK831843, p-(Dimethylamino)styryl methyl ketone, AKOS001326350, ACN-052995, FCH4964132, AJ-15514, AS-10548, BBV-38737262, 1-(4-Dimethylaminophenyl)but-1-en-3-one, AX8090545, TC-154396, ST45137673, 3-Buten-2-one, 4-[p-(dimethylamino)phenyl]-, (E)-4-[4-(Dimethylamino)phenyl]-3-buten-2-one, (E)-4-[4-(dimethylamino)phenyl]but-3-en-2-one, (3E)-4-[4-(Dimethylamino)phenyl]-3-buten-2-one, 4-(4-DIMETHYLAMINO-PHENYL)-BUT-3-EN-2-ONE, (3E)-4-[4-(Dimethylamino)phenyl]-3-buten-2-one #, C12H15NO, -4- BUT-3-EN-2-ONE, C12-H15-N-O, AR-1F6158, AR-1F9765, CID736580, 30625-58-2, 5442-74-0, 55854-61-0,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	189.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.258g/mol
Monoisotopic Mass	189.115g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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