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Home > Other Heterocycles > 21274-59-9
21274-59-9 | 1,7-Diazabicyclo[4.1.0]heptane
CAS No: 21274-59-9 Catalog No: AG006XWB MDL No:
Product Description
Catalog Number:
AG006XWB
Chemical Name:
1,7-Diazabicyclo[4.1.0]heptane
CAS Number:
21274-59-9
Molecular Formula:
C5H10N2
Molecular Weight:
98.1463
IUPAC Name:
1,7-diazabicyclo[4.1.0]heptane
InChI:
InChI=1S/C5H10N2/c1-2-4-7-5(3-1)6-7/h5-6H,1-4H2
InChI Key:
VINDUDNHBWRPMY-UHFFFAOYSA-N
SMILES:
C1CCC2N(C1)N2
Properties
Complexity:
82.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.084g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.149g/mol
Monoisotopic Mass:
98.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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