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15585-71-4 | 1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with tribromomethane (1:1)
CAS No: 15585-71-4 Catalog No: AG001O9N MDL No:
Product Description
Catalog Number:
AG001O9N
Chemical Name:
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with tribromomethane (1:1)
CAS Number:
15585-71-4
Molecular Formula:
C7H13Br3N4
Molecular Weight:
392.9169
IUPAC Name:
bromoform;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
InChI:
InChI=1S/C6H12N4.CHBr3/c1-7-2-9-4-8(1)5-10(3-7)6-9;2-1(3)4/h1-6H2;1H
InChI Key:
OXBIWQBTTCRDGT-UHFFFAOYSA-N
SMILES:
C1N2CN3CN1CN(C2)C3.BrC(Br)Br
UNII:
VW6613KQ0H
Properties
Complexity:
92.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.867g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.921g/mol
Monoisotopic Mass:
389.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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