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19809-17-7 | 1H-Benzimidazole-1-propanamine, N,N-dimethyl-5-nitro-2-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:?)
CAS No: 19809-17-7 Catalog No: AG002BA9 MDL No:
Product Description
Catalog Number:
AG002BA9
Chemical Name:
1H-Benzimidazole-1-propanamine, N,N-dimethyl-5-nitro-2-[2-(1-piperidinyl)ethyl]-, hydrochloride (1:?)
CAS Number:
19809-17-7
Molecular Formula:
C19H30ClN5O2
Molecular Weight:
395.9268
IUPAC Name:
dimethyl-[3-[5-nitro-2-(2-piperidin-1-ylethyl)benzimidazol-1-yl]propyl]azanium;chloride
InChI:
InChI=1S/C19H29N5O2.ClH/c1-21(2)10-6-13-23-18-8-7-16(24(25)26)15-17(18)20-19(23)9-14-22-11-4-3-5-12-22;/h7-8,15H,3-6,9-14H2,1-2H3;1H
InChI Key:
MSRIQQFGPMCYML-UHFFFAOYSA-N
SMILES:
CN(CCCn1c(CCN2CCCCC2)nc2c1ccc(c2)[N+](=O)[O-])C.Cl
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.209g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.932g/mol
Monoisotopic Mass:
395.209g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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