[1-(Aminomethyl)cyclohexyl]methanamine - CAS 4441-55-8
Catalog: |
BB061496 |
Product Name: |
[1-(Aminomethyl)cyclohexyl]methanamine |
CAS: |
4441-55-8 |
Synonyms: |
[1-(aminomethyl)cyclohexyl]methanamine; cyclohexane-1,1-diyldimethanamine; bis (aminomethyl) cyclohexane; di(aminomethyl)-cyclohexane; cyclohexanebis (methylamine) |
IUPAC Name: | [1-(aminomethyl)cyclohexyl]methanamine |
Description: | [1-(Aminomethyl)cyclohexyl]methanamine is used in the preparation of novel capsid protein assembly inhibitors useful for the treatment of hepatitis B. |
Molecular Weight: | 142.24 |
Molecular Formula: | C8H18N2 |
Canonical SMILES: | C1CCC(CC1)(CN)CN |
InChI: | InChI=1S/C8H18N2/c9-6-8(7-10)4-2-1-3-5-8/h1-7,9-10H2 |
InChI Key: | XZAHJRZBUWYCBM-UHFFFAOYSA-N |
Complexity: | 89.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.146998583 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.146998583 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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