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19809-22-4 | 1H-Benzimidazole-1-ethanamine, N,N,β-trimethyl-2-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:?)
CAS No: 19809-22-4 Catalog No: AG002BA8 MDL No:
Product Description
Catalog Number:
AG002BA8
Chemical Name:
1H-Benzimidazole-1-ethanamine, N,N,β-trimethyl-2-[2-(4-morpholinyl)ethyl]-, hydrochloride (1:?)
CAS Number:
19809-22-4
Molecular Formula:
C18H29ClN4O
Molecular Weight:
352.9021
IUPAC Name:
dimethyl-[2-[2-(2-morpholin-4-ylethyl)benzimidazol-1-yl]propyl]azanium;chloride
InChI:
InChI=1S/C18H28N4O.ClH/c1-15(14-20(2)3)22-17-7-5-4-6-16(17)19-18(22)8-9-21-10-12-23-13-11-21;/h4-7,15H,8-14H2,1-3H3;1H
InChI Key:
VAVLZGPFFQEZOW-UHFFFAOYSA-N
SMILES:
CN(CC(n1c(CCN2CCOCC2)nc2c1cccc2)C)C.Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.203g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
352.907g/mol
Monoisotopic Mass:
352.203g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
34.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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