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176679-54-2 | Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine (9CI)
CAS No: 176679-54-2 Catalog No: AG0024TK MDL No:
Product Description
Catalog Number:
AG0024TK
Chemical Name:
Pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine (9CI)
CAS Number:
176679-54-2
Molecular Formula:
C9H12N2
Molecular Weight:
148.2050
IUPAC Name:
pentacyclo[4.3.0.02,5.03,8.04,7]nonane-2,4-diamine
InChI:
InChI=1S/C9H12N2/c10-8-3-1-2-5-4(3)7(8)9(5,11)6(2)8/h2-7H,1,10-11H2
InChI Key:
UDPHPIJCPBFBTN-UHFFFAOYSA-N
SMILES:
NC12C3CC4C1C1(C2C3C41)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.209g/mol
Monoisotopic Mass:
148.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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