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294661-51-1 | 1,3-Diazatricyclo[5.1.1.13,5]decane (9CI)
CAS No: 294661-51-1 Catalog No: AG002YH5 MDL No:MFCD28044502
Product Description
Catalog Number:
AG002YH5
Chemical Name:
1,3-Diazatricyclo[5.1.1.13,5]decane (9CI)
CAS Number:
294661-51-1
Molecular Formula:
C8H14N2
Molecular Weight:
138.2102
MDL Number:
MFCD28044502
IUPAC Name:
1,3-diazatricyclo[5.1.1.13,5]decane
InChI:
InChI=1S/C8H14N2/c1-7-2-9(3-7)6-10-4-8(1)5-10/h7-8H,1-6H2
InChI Key:
WVMNSFAOWNLALQ-UHFFFAOYSA-N
SMILES:
C1C2CN(C2)CN2CC1C2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.116g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.214g/mol
Monoisotopic Mass:
138.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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