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915920-86-4 | 3-(1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANAMINE
CAS No: 915920-86-4 Catalog No: AG006GL9 MDL No:MFCD08691741
Product Description
Catalog Number:
AG006GL9
Chemical Name:
3-(1H-1,2,4-TRIAZOL-1-YL)-1-ADAMANTANAMINE
CAS Number:
915920-86-4
Molecular Formula:
C12H18N4
Molecular Weight:
218.2981
MDL Number:
MFCD08691741
IUPAC Name:
3-(1,2,4-triazol-1-yl)adamantan-1-amine
InChI:
InChI=1S/C12H18N4/c13-11-2-9-1-10(3-11)5-12(4-9,6-11)16-8-14-7-15-16/h7-10H,1-6,13H2
InChI Key:
MEBRHDOGOQBNLX-UHFFFAOYSA-N
SMILES:
NC12CC3CC(C1)CC(C2)(C3)n1cncn1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.304g/mol
Monoisotopic Mass:
218.153g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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