[6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic Acid - CAS 535934-70-4
Catalog: |
BB066861 |
Product Name: |
[6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic Acid |
CAS: |
535934-70-4 |
Synonyms: |
(6-(dimethylamino)-4-methylpyridin-3-yl)boronic acid; 2-(Dimethylamino)-4-methylpyridine-5-boronic acid; [6-(dimethylamino)-4-methylpyridin-3-yl]boronic acid; [6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic acid; 6-(Dimethylamino)pyridine-3-boronic acid dihydrochloride; 6-(dimethylamino)-4-methylpyridine-3-boronic acid |
IUPAC Name: | [6-(dimethylamino)-4-methylpyridin-3-yl]boronic acid |
Description: | [6-(Dimethylamino)-4-methyl-3-pyridinyl]-boronic acid |
Molecular Weight: | 165.99 |
Molecular Formula: | C7H11BN2O2 |
Canonical SMILES: | B(C1=CN=C(C=C1C)N(C)C)(O)O |
InChI: | InChI=1S/C8H13BN2O2/c1-6-4-8(11(2)3)10-5-7(6)9(12)13/h4-5,12-13H,1-3H3 |
InChI Key: | CVPDQSRAEJAOCP-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.1070078 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.1070078 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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