1-(1,3-Benzodioxol-5-yl)cyclopentanamine - CAS 1011365-77-7
Catalog: |
BB000451 |
Product Name: |
1-(1,3-Benzodioxol-5-yl)cyclopentanamine |
CAS: |
1011365-77-7 |
Synonyms: |
1-(1,3-benzodioxol-5-yl)-1-cyclopentanamine; 1-(1,3-benzodioxol-5-yl)cyclopentan-1-amine |
IUPAC Name: | 1-(1,3-benzodioxol-5-yl)cyclopentan-1-amine |
Description: | 1-(1,3-Benzodioxol-5-yl)cyclopentanamine (CAS# 1011365-77-7 ) is a useful research chemical. |
Molecular Weight: | 205.25 |
Molecular Formula: | C12H15NO2 |
Canonical SMILES: | C1CCC(C1)(C2=CC3=C(C=C2)OCO3)N |
InChI: | InChI=1S/C12H15NO2/c13-12(5-1-2-6-12)9-3-4-10-11(7-9)15-8-14-10/h3-4,7H,1-2,5-6,8,13H2 |
InChI Key: | KNQJIEORLQNWNY-UHFFFAOYSA-N |
LogP: | 2.84360 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.110278721 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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