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155159-27-6 | 1,2,8-Triazatricyclo[3.3.1.13,7]decane (9CI)
CAS No: 155159-27-6 Catalog No: AG001NOI MDL No:
Product Description
Catalog Number:
AG001NOI
Chemical Name:
1,2,8-Triazatricyclo[3.3.1.13,7]decane (9CI)
CAS Number:
155159-27-6
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
1,2,8-triazatricyclo[3.3.1.13,7]decane
InChI:
InChI=1S/C7H13N3/c1-5-2-7-3-6(1)8-10(4-5)9-7/h5-9H,1-4H2
InChI Key:
AFLDYJXKDYFMRT-UHFFFAOYSA-N
SMILES:
C1C2CC3CC1NN(C2)N3
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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