1,2,3,4-Tetrahydroharmane-3-carboxylic acid - CAS 5470-37-1
Catalog: |
BB028788 |
Product Name: |
1,2,3,4-Tetrahydroharmane-3-carboxylic acid |
CAS: |
5470-37-1 |
Synonyms: |
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
IUPAC Name: | 1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
Description: | 1,2,3,4-Tetrahydroharmane-3-carboxylic acid (CAS# 5470-37-1) is a useful research chemical. |
Molecular Weight: | 230.26 |
Molecular Formula: | C13H14N2O2 |
Canonical SMILES: | CC1C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2 |
InChI: | InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17) |
InChI Key: | ZUPHXNBLQCSEIA-UHFFFAOYSA-N |
Boiling Point: | 488 °C at 760 mmHg |
Melting Point: | 290 °C |
Density: | 1.301 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00022199 |
LogP: | 2.15660 |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22957895 | 20121003 | Identification and mode of action of 5-hydroxymethyl-2-furfural (5-hmf) and 1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid (MTCA) as potent xanthine oxidase inhibitors in vinegars | Journal of agricultural and food chemistry |
21060288 | 20101102 | Cytotoxic and insecticidal activities of derivatives of harmine, a natural insecticidal component isolated from Peganum harmala | Molecules (Basel, Switzerland) |
18955346 | 20090901 | The Methyltetrahydro-{beta}-Carbolines in Maca (Lepidium meyenii) | Evidence-based complementary and alternative medicine : eCAM |
15113173 | 20040505 | Identification and occurrence of tryptamine- and tryptophan-derived tetrahydro-beta-carbolines in commercial sausages | Journal of agricultural and food chemistry |
14611187 | 20031119 | Tetrahydro-beta-carboline alkaloids occur in fruits and fruit juices. Activity as antioxidants and radical scavengers | Journal of agricultural and food chemistry |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.105527694 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.1 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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