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138580-11-7 | 1-Azapentacyclo[4.2.0.02,5.03,8.04,7]octan-2-amine
CAS No: 138580-11-7 Catalog No: AG0018T4 MDL No:
Product Description
Catalog Number:
AG0018T4
Chemical Name:
1-Azapentacyclo[4.2.0.02,5.03,8.04,7]octan-2-amine
CAS Number:
138580-11-7
Molecular Formula:
C7H8N2
Molecular Weight:
120.1518
IUPAC Name:
1-azapentacyclo[4.2.0.02,5.03,8.04,7]octan-2-amine
InChI:
InChI=1S/C7H8N2/c8-7-3-1-2-5(3)9(7)6(2)4(1)7/h1-6H,8H2
InChI Key:
QPCVWARKRQCMNT-UHFFFAOYSA-N
SMILES:
NC12C3C4C1C1N2C3C41
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.069g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
120.155g/mol
Monoisotopic Mass:
120.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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