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244025-06-7 | NDNI hydriodide
CAS No: 244025-06-7 Catalog No: AG007NI5 MDL No:
Product Description
Catalog Number:
AG007NI5
Chemical Name:
NDNI hydriodide
CAS Number:
244025-06-7
Molecular Formula:
C20H36I2N2
Molecular Weight:
558.3222
IUPAC Name:
1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium;iodide;hydroiodide
InChI:
InChI=1S/C20H35N2.2HI/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2;;/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3;2*1H/q+1;;/p-1/t20-;;/m0../s1
InChI Key:
NNVBWSUAQNYTGZ-FJSYBICCSA-M
SMILES:
CCCCCCCCCC[n+]1cccc(c1)[C@@H]1CCCN1C.I.[I-]
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
558.097g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
558.331g/mol
Monoisotopic Mass:
558.097g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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