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24886-64-4 | 1H-Tetrazole, 5-(1-methylethyl)-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS No: 24886-64-4 Catalog No: AG002PQZ MDL No:
Product Description
Catalog Number:
AG002PQZ
Chemical Name:
1H-Tetrazole, 5-(1-methylethyl)-1-tricyclo[3.3.1.13,7]dec-1-yl-
CAS Number:
24886-64-4
Molecular Formula:
C14H22N4
Molecular Weight:
246.3513
IUPAC Name:
1-(1-adamantyl)-5-propan-2-yltetrazole
InChI:
InChI=1S/C14H22N4/c1-9(2)13-15-16-17-18(13)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3
InChI Key:
JOLLRSUOWRERSF-UHFFFAOYSA-N
SMILES:
CC(c1nnnn1C12CC3CC(C2)CC(C1)C3)C
NSC Number:
140709
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.358g/mol
Monoisotopic Mass:
246.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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