(5-Phenylisoxazol-3-yl)methylamine

• CAS: 154016-47-4
• Catalog Number: ACM154016474
• Category: Other Products
• Molecular Weight: 174.2
• Molecular Formula: C₁₀H₁₀N₂O
• Synonyms: C-(5-PHENYL-ISOXAZOL-3-YL)-METHYLAMINE;CBI-BB ZERO/004801;(5-PHENYLISOXAZOL-3-YL)METHYLAMINE;AKOS PAO-1454;1-(5-Phenyl-1,2-oxazol-3-yl)methanamine;3-Isoxazolemethanamine, 5-phenyl-;(5-Phenylisoxazol-3-yl)MethanaMine

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (5-phenyl-1,2-oxazol-3-yl)methanamine.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H10N2O/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7,11H2.

What is the InChIKey of the compound?

The InChIKey of the compound is GWDSZTSDAULPDO-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES representation of the compound is C1=CC=C(C=C1)C2=CC(=NO2)CN.

What is the molecular weight of the compound?

The molecular weight of the compound is 174.20 g/mol.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.9.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.