Betonicine

Catalog Number	ACM515253
CAS Number	515-25-3
Synonyms	4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
Molecular Weight	159.18
Molecular Formula	C7H13NO3
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
Purity	95%+
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
PhysicalState	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betaine that is a trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.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.

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