Betonicine

• CAS: 515-25-3
• Catalog Number: ACM515253
• Category: Other Products
• Molecular Weight: 159.18
• Molecular Formula: C₇H₁₃NO₃
• Synonyms: 4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
• InChI: InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
• InChI Key: MUNWAHDYFVYIKH-RITPCOANSA-N
• Melting Point: 246-248 °C
• Appearance: Off-white Powder
• Complexity: 173
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: C[N+]1(C[C@@H](C[C@H]1C(=O)[O-])O)C
• Monoisotopic Mass: 159.08954328
• Physical State: Powder
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 60.4 Ų

Custom Q&A

What is the chemical formula for Betonicine?

The chemical formula for Betonicine is C7H13NO3.

What is the molecular weight of Betonicine?

The molecular weight of Betonicine is 159.18.

What is the CAS number of Betonicine?

The CAS number of Betonicine is 515-25-3.

What are some synonyms for Betonicine?

Some synonyms for Betonicine include trans-2-Carboxy-4-hydroxy-1,1-dimethylpyrrolidinium hydroxide and 4-Hydroxy-stachydrine.

What is the melting point of Betonicine?

The melting point of Betonicine is 246-248°C.

What is the boiling point of Betonicine?

The boiling point of Betonicine is approximately 284.67°C.

What is the safety information for Betonicine?

The safety statements for Betonicine are 22-24/25 and it has a WGK Germany rating of 3.

How is Betonicine defined in ChEBI?

Betonicine is defined in ChEBI as an amino-acid betaine that is a trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.

What is the density of Betonicine?

The density of Betonicine is approximately 1.2013.

What is the LogP value of Betonicine?

The LogP value of Betonicine is -4.240.