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138580-14-0 | 1,3-DIAZAPENTACYCLO[4.2.0.02,5.03,8.04,7]OCTAN-2-AMINE
CAS No: 138580-14-0 Catalog No: AG0018T1 MDL No:
Product Description
Catalog Number:
AG0018T1
Chemical Name:
1,3-DIAZAPENTACYCLO[4.2.0.02,5.03,8.04,7]OCTAN-2-AMINE
CAS Number:
138580-14-0
Molecular Formula:
C6H7N3
Molecular Weight:
121.1399
IUPAC Name:
1,3-diazapentacyclo[4.2.0.02,5.03,8.04,7]octan-2-amine
InChI:
InChI=1S/C6H7N3/c7-6-2-3-1-4(2)9(6)5(1)8(3)6/h1-5H,7H2
InChI Key:
IERGVZDSLYVOOW-UHFFFAOYSA-N
SMILES:
NC12C3C4N2C2N1C3C42
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
121.143g/mol
Monoisotopic Mass:
121.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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