Perillartine

• CAS: 30950-27-7
• Catalog Number: ACM30950277
• Category: Other Products
• Molecular Weight: 165.23
• Molecular Formula: C10H15NO
• Synonyms: 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, anti-oxime
• IUPAC Name: (NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine
• Canonical SMILES: CC(=C)C1CCC(=CC1)/C=N/O
• InChI: InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+
• InChI Key: XCOJIVIDDFTHGB-YRNVUSSQSA-N
• Boiling Point: 293.09 °C
• Melting Point: 102 °C
• Density: 1.02 g/ml
• Appearance: White powder
• Exact Mass: 165.115364102
• Isomeric SMILES: CC(=C)C1CCC(=CC1)/C=N/O
• Monoisotopic Mass: 165.115364102
• Physical State: Crystalline
• pKa: 11.45±0.28
• Refractive Index: n20/D 1.520(lit.)
• Safety Description: 26-36/37/39
• Storage Conditions: Inert atmosphere,2-8 °C
• Topological Polar Surface Area: 32.6 Ų

Custom Q&A

What is the molecular formula of Perillartine?

The molecular formula of Perillartine is C10H15NO.

When was Perillartine first created?

Perillartine was first created on 2005-03-27.

What is the IUPAC Name of Perillartine?

The IUPAC Name of Perillartine is (NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine.

What is the molecular weight of Perillartine?

The molecular weight of Perillartine is 165.23 g/mol.

What is the Canonical SMILES of Perillartine?

The Canonical SMILES of Perillartine is CC(=C)C1CCC(=CC1)C=NO.

How many hydrogen bond donor counts does Perillartine have?

Perillartine has 1 hydrogen bond donor count.

What is the topological polar surface area of Perillartine?

The topological polar surface area of Perillartine is 32.6 A^2.

How many heavy atoms does Perillartine contain?

Perillartine contains 12 heavy atoms.

Does Perillartine have any defined atom stereocenters?

No, Perillartine does not have any defined atom stereocenters.

What is the XLogP3-AA value of Perillartine?

The XLogP3-AA value of Perillartine is 2.9.

Synthetic Use

Downstream Synthesis Route 1

• 30950-27-7

• 60188-94-5

Reference: [1]Journal of the American Chemical Society,1980,vol. 102,p. 5881 - 5886

Downstream Synthesis Route 2

• 30950-27-7

• 71742-40-0

Reference: [1]Journal of the American Chemical Society,1980,vol. 102,p. 5881 - 5886

Downstream Synthesis Route 3

• 30950-27-7

• 66617-28-5

Reference: [1]Journal of the American Chemical Society,1980,vol. 102,p. 5881 - 5886

* For details of the synthesis route, please refer to the original source to ensure accuracy.