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Home Aldehydes 4-(2,3,4-Trimethoxybenzyl)-1-Piperazinecarboxaldehyde hydrochloride

4-(2,3,4-Trimethoxybenzyl)-1-Piperazinecarboxaldehyde hydrochloride

CAS No.:
879646-17-0
Catalog Number:
AG00IKY7
Molecular Formula:
C15H23ClN2O4
Molecular Weight:
330.8071
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Product Description
Catalog Number:
AG00IKY7
Chemical Name:
4-(2,3,4-Trimethoxybenzyl)-1-Piperazinecarboxaldehyde hydrochloride
CAS Number:
879646-17-0
Molecular Formula:
C15H23ClN2O4
Molecular Weight:
330.8071
MDL Number:
MFCD22573487
IUPAC Name:
4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbaldehyde;hydrochloride
InChI:
InChI=1S/C15H22N2O4.ClH/c1-19-13-5-4-12(14(20-2)15(13)21-3)10-16-6-8-17(11-18)9-7-16;/h4-5,11H,6-10H2,1-3H3;1H
InChI Key:
NEFRUZDKTRHROW-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1OC)OC)CN1CCN(CC1)C=O.Cl
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.135g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
330.809g/mol
Monoisotopic Mass:
330.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties