1-Isoxazol-5-yl-ethylamine

• Catalog Number: ACM933721756
• Product Name: 1-Isoxazol-5-yl-ethylamine
• CAS: 933721-75-6
• Category: Heterocyclic Organic Compound
• Synonyms: 1-(Isoxazol-5-yl)ethanamine, 933721-75-6, 1-ISOXAZOL-5-YL-ETHYLAMINE, SureCN2187630, JSPY-st000023, CTK8C2816, ANW-69047, AKOS006220906, AK-51429, KB-12687, KB-215771, BB 0260552
• IUPAC Name: 1-(1,2-oxazol-5-yl)ethanamine
• Molecular Weight: 112.131
• Molecular Formula: C5H8N2O
• Canonical SMILES: CC(C1=CC=NO1)N
• InChI Key: NEUUDZFNGAFNIO-UHFFFAOYSA-N
• Boiling Point: 199.1ºC at 760 mmHg
• Flash Point: 74.2ºC
• Density: 1.091 g/cm³
• Exact Mass: 112.06400
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• MDL Number: MFCD09997823
• Size: 50mg,100mg,250mg,500mg,1g,5g

Custom Q&A

What is the IUPAC name of the compound?

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

What is the molecular formula of the compound?

The molecular formula of the compound is C5H8N2O.

What is the molecular weight of the compound?

The molecular weight of the compound is 112.13 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C5H8N2O/c1-4(6)5-2-3-7-8-5/h2-4H,6H2,1H3.

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CC(C1=CC=NO1)N.

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.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -0.3.

Is the compound canonicalized?

Yes, the compound is canonicalized.