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875923-46-9 | 1H-Benzimidazol-2-amine, N-[3-(1-piperidinyl)propyl]-, ethanedioate(1:2)
CAS No: 875923-46-9 Catalog No: AG004IKX MDL No:
Product Description
Catalog Number:
AG004IKX
Chemical Name:
1H-Benzimidazol-2-amine, N-[3-(1-piperidinyl)propyl]-, ethanedioate(1:2)
CAS Number:
875923-46-9
Molecular Formula:
C19H26N4O8
Molecular Weight:
438.4317
IUPAC Name:
oxalic acid;N-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C15H22N4.2C2H2O4/c1-4-10-19(11-5-1)12-6-9-16-15-17-13-7-2-3-8-14(13)18-15;2*3-1(4)2(5)6/h2-3,7-8H,1,4-6,9-12H2,(H2,16,17,18);2*(H,3,4)(H,5,6)
InChI Key:
HKOGNBBTJTZZEQ-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCCNc1nc2c([nH]1)cccc2.OC(=O)C(=O)O.OC(=O)C(=O)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.175g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
438.437g/mol
Monoisotopic Mass:
438.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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