1,2,3,4-Tetrahydro-1,4-epoxynaphthalen-5-amine - CAS 668492-12-4
Catalog: |
BB076752 |
Product Name: |
1,2,3,4-Tetrahydro-1,4-epoxynaphthalen-5-amine |
CAS: |
668492-12-4 |
Synonyms: |
1,2,3,4-Tetrahydro-1,4-epoxynaphthalen-5-amine; 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine; 11-oxatricyclo[6.2.1.0,2,7]undeca-2(7),3,5-trien-3-amine |
IUPAC Name: | 11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-3-amine |
Description: | 1,2,3,4-Tetrahydro-1,4-epoxynaphthalen-5-amine is used in the preparation of fungicides. |
Molecular Weight: | 161.2 |
Molecular Formula: | C10H11NO |
Canonical SMILES: | C1CC2C3=C(C1O2)C=CC=C3N |
InChI: | InChI=1S/C10H11NO/c11-7-3-1-2-6-8-4-5-9(12-8)10(6)7/h1-3,8-9H,4-5,11H2 |
InChI Key: | JHILHWLHCSISQQ-UHFFFAOYSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.084063974 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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