Isochroman-1-ylmethyl-methyl-amine - CAS 50683-74-4
Catalog: |
BB052539 |
Product Name: |
Isochroman-1-ylmethyl-methyl-amine |
CAS: |
50683-74-4 |
Synonyms: |
(isochromanylmethyl)methylamine; (3,4-dihydro-1H-2-benzopyran-1-ylmethyl)(methyl)amine |
IUPAC Name: | 1-(3,4-dihydro-1H-isochromen-1-yl)-N-methylmethanamine |
Molecular Weight: | 177.24 |
Molecular Formula: | C11H15NO |
Canonical SMILES: | CNCC1C2=CC=CC=C2CCO1 |
InChI: | InChI=1S/C11H15NO/c1-12-8-11-10-5-3-2-4-9(10)6-7-13-11/h2-5,11-12H,6-8H2,1H3 |
InChI Key: | QRTWLBGCEOIIBF-UHFFFAOYSA-N |
Appearance: | Solid |
Complexity: | 160 |
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: | 2 |
Topological Polar Surface Area: | 21.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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