3-Amino-6-methoxypyridine-2-acetonitrile - CAS 111796-01-1
Catalog: |
BB002808 |
Product Name: |
3-Amino-6-methoxypyridine-2-acetonitrile |
CAS: |
111796-01-1 |
Synonyms: |
2-(3-amino-6-methoxypyridin-2-yl)acetonitrile |
IUPAC Name: | 2-(3-amino-6-methoxypyridin-2-yl)acetonitrile |
Description: | 3-Amino-6-methoxypyridine-2-acetonitrile (CAS# 111796-01-1 ) is a useful research chemical. |
Molecular Weight: | 163.18 |
Molecular Formula: | C8H9N3O |
Canonical SMILES: | COC1=NC(=C(C=C1)N)CC#N |
InChI: | InChI=1S/C8H9N3O/c1-12-8-3-2-6(10)7(11-8)4-5-9/h2-3H,4,10H2,1H3 |
InChI Key: | SZTYCWGEOJTSSS-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD16621407 |
LogP: | 1.31968 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.074561919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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