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Betonicine

Betonicine structure

CAS No:
515-25-3
Formula:
C7H13NO3
Chemical Name:
Betonicine
Synonyms:
Pyrrolidinium,2-carboxy-4-hydroxy-1,1-dimethyl-,inner salt,(2S,4R)-;Betonicine;Pyrrolidinium,2-carboxy-4-hydroxy-1,1-dimethyl-,hydroxide,inner salt,(2S-trans)-;2-Carboxy-4-hydroxy-1,1-dimethylpyrrolidinium hydroxide,inner salt,L-trans-;Achilleine;Betonicin;Achillein;trans-4-Hydroxyproline betaine;Pyrrolidinium,2-carboxy-4-hydroxy-1,1-dimethyl-,inner salt,(2S-trans)-;4476-22-6
Categories:
Natural Products > Alkaloids

Description

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betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups.

Solid

Trans-4-hydroxy-L-proline betaine is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. It has a role as a plant metabolite. It is an amino-acid betaine, a secondary alcohol and a pyrrolidine alkaloid. It derives from a trans-4-hydroxy-L-proline zwitterion.

Betonicine Basic Attributes

Molecular Weight：

159.18

Exact Mass：

159.09000

EC Number：

208-195-6

UNII：

FBA654632Q

HScode：

2933990090

Characteristics

PSA：

60.4

XLogP3：

0.1

Appearance：

Solid

Density：

1.2013 (rough estimate)

Melting Point：

243-244 °C (decomp)

Water Solubility：

1e+006 mg/L @ 25 °C (est)

Specific rotation：

D20 -34.2° (c = 1.0)

Safety Information

wgk germany：

safety instructions：

22-24/25

Computed Properties

Molecular Weight:159.18
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:159.08954328
Monoisotopic Mass:159.08954328
Topological Polar Surface Area:60.4
Heavy Atom Count:11
Complexity:173
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Betonicine

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Betonicine

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