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Home > Other Heterocycles > 87640-95-7
87640-95-7 | 2,5-diazabicyclo[4.1.0]heptane dihydrochloride
CAS No: 87640-95-7 Catalog No: AG00IL74 MDL No:
Product Description
Catalog Number:
AG00IL74
Chemical Name:
2,5-diazabicyclo[4.1.0]heptane dihydrochloride
CAS Number:
87640-95-7
Molecular Formula:
C5H12Cl2N2
Molecular Weight:
171.0682
IUPAC Name:
2,5-diazabicyclo[4.1.0]heptane;dihydrochloride
InChI:
InChI=1S/C5H10N2.2ClH/c1-2-7-5-3-4(5)6-1;;/h4-7H,1-3H2;2*1H
InChI Key:
DXHYSGZDWYNCIO-UHFFFAOYSA-N
SMILES:
C1CNC2C(N1)C2.Cl.Cl
Properties
Complexity:
72.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.038g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
171.065g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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