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Home > Pyridines > 1609404-09-2
1609404-09-2 | 1-(2-pyridinylmethyl)piperazine diethanedioate
CAS No: 1609404-09-2 Catalog No: AG00J3CC MDL No:MFCD13194027
Product Description
Catalog Number:
AG00J3CC
Chemical Name:
1-(2-pyridinylmethyl)piperazine diethanedioate
CAS Number:
1609404-09-2
Molecular Formula:
C14H19N3O8
Molecular Weight:
357.3160
MDL Number:
MFCD13194027
IUPAC Name:
oxalic acid;1-(pyridin-2-ylmethyl)piperazine
InChI:
InChI=1S/C10H15N3.2C2H2O4/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;2*3-1(4)2(5)6/h1-4,11H,5-9H2;2*(H,3,4)(H,5,6)
InChI Key:
JXNZVMGCMJIMLQ-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)Cc1ccccn1.OC(=O)C(=O)O.OC(=O)C(=O)O
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
357.319g/mol
Monoisotopic Mass:
357.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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