AG002AXQ

197638-76-9 | Benzaldehyde, 4-(4-ethyl-1-piperazinyl)-

AG002AXQ

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CAS Number	197638-76-9
Catalog Number	AG002AXQ(AGN-PC-0N5Q7U)
Chemical Name	Benzaldehyde, 4-(4-ethyl-1-piperazinyl)-
IUPAC Name	4-(4-ethylpiperazin-1-yl)benzaldehyde
InChI	InChI=1S/C13H18N2O/c1-2-14-7-9-15(10-8-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10H2,1H3
InChI Key	UXVDOPUAJVRFDG-UHFFFAOYSA-N
MDL Number	MFCD05864670
Molecular Formula	C13H18N2O
Molecular Weight	218.2948
SMILES	C(C)N1CCN(CC1)C2=CC=C(C=O)C=C2
Synonyms	4-(4-ethylpiperazin-1-yl)benzaldehyde, 197638-76-9, 4-(4-ethylpiperazinyl)benzaldehyde, Benzaldehyde,4-(4-ethyl-1-piperazinyl)-, SCHEMBL5356967, CTK4E2240, DTXSID40441074, UXVDOPUAJVRFDG-UHFFFAOYSA-N, KS-000024HA, ZINC2563697, ANW-51347, MFCD05864670, SBB066892, AKOS000260440, DS-0033, VZ27783, ACM197638769, AJ-40829, AK-16223, BR-16223, CC-16550, AB0023183, AX8014899, Benzaldehyde, 4-(4-ethyl-1-piperazinyl)-, DB-001451, TR-009168, 4CH-007642, FT-0600811, ST24028771, W4189, S-2591, C-11947, C13H18N2O, CID10513024,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.142g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	218.3g/mol
Monoisotopic Mass	218.142g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	23.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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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