6,8-Dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine - CAS 746586-40-3
Catalog: |
BB066774 |
Product Name: |
6,8-Dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine |
CAS: |
746586-40-3 |
Synonyms: |
3,4-Dihydro-6,8-dimethyl-2H-1-benzopyran-4-amine |
IUPAC Name: | 6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine |
Description: | 6,8-dimethyl-3,4-dihydro-2H-1-benzopyran-4-amine is a reagent used in the preparation of diaminotriazines; a herbicides and a plant growth regulator. |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | CC1=CC(=C2C(=C1)C(CCO2)N)C |
InChI: | InChI=1S/C11H15NO/c1-7-5-8(2)11-9(6-7)10(12)3-4-13-11/h5-6,10H,3-4,12H2,1-2H3 |
InChI Key: | KMICWNIEVDQIJO-UHFFFAOYSA-N |
References: | Minn, K., et al. From PCT Int. Appl. (2003), WO 2003070710 A1 20030828. |
Complexity: | 183 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.115364102 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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