5-Amino-2-methylbenzonitrile - CAS 50670-64-9
Catalog: |
BB027173 |
Product Name: |
5-Amino-2-methylbenzonitrile |
CAS: |
50670-64-9 |
Synonyms: |
5-amino-2-methylbenzonitrile |
IUPAC Name: | 5-amino-2-methylbenzonitrile |
Description: | 5-Amino-2-methylbenzonitrile (CAS# 50670-64-9) is a useful research chemical. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | CC1=C(C=C(C=C1)N)C#N |
InChI: | InChI=1S/C8H8N2/c1-6-2-3-8(10)4-7(6)5-9/h2-4H,10H2,1H3 |
InChI Key: | YDZVQWCVKXYGIU-UHFFFAOYSA-N |
Boiling Point: | 300.3 ℃ at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD00017608 |
LogP: | 2.03008 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021050721-A1 | Quinoline derivatives and uses in managing cancer | 20190910 |
WO-2020197170-A1 | Novel compound and organic light emitting device comprising the same | 20190328 |
WO-2020000065-A2 | Substituted-n-heteroaryl compounds and uses thereof | 20190325 |
WO-2020114949-A1 | Heteroaromatic compounds as vanin inhibitors | 20181203 |
CN-113166117-A | Heteroaromatic compounds as VANIN inhibitors | 20181203 |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.068748264 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.068748264 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Amines and Anilines
Nitrogen Compounds
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