AG003K4I

27913-99-1 | 4-(4-Methylpiperazino)benzaldehyde

AG003K4I

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CAS Number	27913-99-1
Catalog Number	AG003K4I(AGN-PC-0JVOF4)
Chemical Name	4-(4-Methylpiperazino)benzaldehyde
IUPAC Name	4-(4-methylpiperazin-1-yl)benzaldehyde
InChI	InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3
InChI Key	PFODEVGLOVUVHS-UHFFFAOYSA-N
MDL Number	MFCD00452233
Molecular Formula	C12H16N2O
Molecular Weight	204.2682
SMILES	CN1CCN(CC1)C1=CC=C(C=O)C=C1
Synonyms	27913-99-1, 4-(4-Methylpiperazino)benzaldehyde, 4-(4-methylpiperazin-1-yl)benzaldehyde, 1-(4-Formylphenyl)-4-methylpiperazine, 4-(4-Methylpiperazinyl)benzaldehyde, 4-(4-Methylpiperazino)benzenecarbaldehyde, 4-(4-Methyl-piperazin-1-yl)-benzaldehyde, Benzaldehyde, 4-(4-methyl-1-piperazinyl)-, 4-(4-Methyl-1-piperazinyl)benzaldehyde, AC1LEICA, PubChem20530, SMR000147087, ACMC-1CAZR, AC1Q3ZV0, AC1Q6Q6C, MLS000554970, SCHEMBL208547, Jsp005392, CHEMBL1580213, CTK4G0420, DTXSID80353061, PFODEVGLOVUVHS-UHFFFAOYSA-N, HMS2314B04, ZINC158906, ANW-26289, MFCD00452233, SBB022479, STK349833, WT1211, AKOS000260629, AB06011, CS-W002614, LS40042, MCULE-2151061350, QC-9887, RP04481, TRA0012676, VP70156, N-(4-formylphenyl)-N'-methylpiperazine, p-(4-Methylpiperazin-1-yl)benzaldehyde, 4-(4-methylpiperazine-1-yl)benzaldehyde, AJ-15399, AN-13322, BR-16210, SC-27129, SY003779, Benzaldehyde,4-(4-methyl-1-piperazinyl)-, AB0023928, DB-005593, TC-030255, 4CH-001914, AM20061209, FT-0600579, M1624, ST24032698, ST45133791, W5089, MFCD00452233 (98%), 4-(4-methylpiperazino)benzaldehyde, AldrichCPR, C-6294, 3T-0301, 913M991, J-513556, 27913-99-1 4-(4-methylpiperazin-1-yl)benzaldehyde, 4- benzaldehyde, C12H16N2O, AR-1F6387, CID736533, ACN-030087, C2180, 28056-87-3,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.126g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.273g/mol
Monoisotopic Mass	204.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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