Basic information
- CAS
445-30-7- Standard SMILES
C[n+]1ccccc1C(=O)[O-]- InChIKey
BRTLKRNVNFIOPJ-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767847
Overview
Betaine homarine is a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- Homarine
- IUPAC
- 1-methylpyridin-1-ium-2-carboxylate
- English name
- homarine
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.13598
Names & synonyms
Homarine445-30-71-methylpyridin-1-ium-2-carboxylatePicolinic acid N-methylbetaineKQ3VHX1490DTXSID101962011-Methyl-2-pyridinecarboxylic acidRefChem:923033DTXCID80118692Homarine-d32-Carboxy-1-methylpyridinium Inner SaltPyridinium, 2-carboxy-1-methyl-, inner salt
Show more names
2-Carboxylato-1-methylpyridiniumPyridinium, 2-?carboxy-?1-?methyl-?, inner salt
UNII-KQ3VHX1490Betaine homarine1-methyl-2-pyridinium carboxylate2-Pyridinecarboxylic Acid Methoinner Salt2-Pyridinecarboxylic Acid N-Methylbetainestarbld0030787HOMARINE [MI]Homarine; LC-tDDA; CE10
Database identifiers
- CAS
445-30-7- PubChem CID
- 3620
- DTXSID
DTXSID10196201- ChEBI
CHEBI:69061- UNII
- KQ3VHX1490
- Nikkaji
- J5.747I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 140 °C · >140°C (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- Pale Orange to Dark Brown
- Stability
- Hygroscopic
- FDA UNII
- 3 VHX1490 · KQ3VHX1490
Chemistry & industry
Applications
UsesQuaternary ammonium base occurring in tissues of marine animals.
Suppliers21 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
合肥启明医药科技有限公司15105695099 · [email protected]
上海芮晖化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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