2-Amino-5-methylbenzonitrile - CAS 5925-93-9
Catalog: |
BB030317 |
Product Name: |
2-Amino-5-methylbenzonitrile |
CAS: |
5925-93-9 |
Synonyms: |
2-amino-5-methylbenzonitrile |
IUPAC Name: | 2-amino-5-methylbenzonitrile |
Description: | 2-Amino-5-methylbenzonitrile can be used in combination therapy to treat Mucopolysaccharidosis I. |
Molecular Weight: | 132.16 |
Molecular Formula: | C8H8N2 |
Canonical SMILES: | CC1=CC(=C(C=C1)N)C#N |
InChI: | InChI=1S/C8H8N2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,10H2,1H3 |
InChI Key: | OZLMBXPYRDASTP-UHFFFAOYSA-N |
Boiling Point: | 294.6 °C at 760 mmHg |
Density: | 1.1 g/cm3 |
MDL: | MFCD00267506 |
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 |
CN-113121455-A | Method for efficiently catalyzing and converting carbon dioxide into quinazoline diketone compound by utilizing eutectic solvent under normal temperature and pressure conditions | 20210420 |
CN-112778219-A | Method for preparing 2,4- (1H,3H) -quinazoline diketone compound | 20210127 |
CN-112645887-A | Preparation method of quinazolinone derivative | 20201221 |
WO-2021028382-A1 | [1,2,4]triazolo[1,5-c]quinazolin-5-amines | 20190812 |
CN-110357823-A | The synthetic method of Quinazol derivative | 20180409 |
PMID | Publication Date | Title | Journal |
21583197 | 20090520 | 2,2,7-Trimethyl-2,3-dihydro-quinazolin-4(1H)-one | Acta crystallographica. Section E, Structure reports online |
21583911 | 20090422 | 6'-Methyl-1',2',3',4'-tetra-hydro-spiro-cyclo-hexane-2'-quinazolin-4'-one | Acta crystallographica. Section E, Structure reports online |
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: | 1.6 |
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