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133985-85-0 | 1-(4-IODOPHENYL)-3-(1-ADAMANTYL)GUANIDINE
CAS No: 133985-85-0 Catalog No: AG00804Z MDL No:
Product Description
Catalog Number:
AG00804Z
Chemical Name:
1-(4-IODOPHENYL)-3-(1-ADAMANTYL)GUANIDINE
CAS Number:
133985-85-0
Molecular Formula:
C17H22IN3
Molecular Weight:
395.2811
IUPAC Name:
2-(1-adamantyl)-1-(4-iodophenyl)guanidine
InChI:
InChI=1S/C17H22IN3/c18-14-1-3-15(4-2-14)20-16(19)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H3,19,20,21)
InChI Key:
BNRDJYCVXAIEIV-UHFFFAOYSA-N
SMILES:
N=C(Nc1ccc(cc1)I)NC12CC3CC(C2)CC(C1)C3
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.288g/mol
Monoisotopic Mass:
395.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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