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Homarine

CAT: 0572-TRC-H458500-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H458500-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
445-30-7
Synonyms
2-Carboxy-1-methylpyridinium Inner Salt; 2-Pyridinecarboxylic Acid N-Methylbetaine; 2-Pyridinecarboxylic Acid Methoinner Salt;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Cl.NC(=N)NCCC[C@H](N)C(O)=O
Molecular Formula
C7H7NO2
Molecular Weight
137.14
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Homarine

Betaine homarine is a non-proteinogenic alpha-amino acid.

CAS Number445-30-7
PubChem CID3620
IUPAC Name1-methylpyridin-1-ium-2-carboxylate
Molecular FormulaC7H7NO2
Molecular Weight137.14
XLogP1.5
Topological Polar Surface Area44
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity130
SMILES
C[N+]1=CC=CC=C1C(=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-8-5-3-2-4-6(8)7(9)10/h2-5H,1H3
InChIKey
BRTLKRNVNFIOPJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Homarine
CAS: 445-30-7
CID: 3620
Formula: C7H7NO2
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.047678466
Monoisotopic Mass137.047678466
Topological Polar Surface Area44 Ų
Heavy Atom Count10
Formal Charge0
Complexity130
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-470671Homarine
FH07784-01Homarine hydrochloride
CS-T-103220Homarine-d3

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