5470-37-1
Product Name:
HARMANE-1,2,3,4-TETRAHYDRO-3-CARBOXYLIC ACID
Formula:
C13H14N2O2
Synonyms:
1,2,3,4-Tetrahydroharmane-3-carboxylic acid;1-Methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylic acid;1-Methyl-1,2,3,4-Tetrahydropyrido[3,4-b]indole-3-carboxylic acid;NSC 26225
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Melting Point | 290 °C |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 230.26 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 230.105527694 g/mol |
| Monoisotopic Mass | 230.105527694 g/mol |
| Topological Polar Surface Area | 65.1 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 321 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid is a harmala alkaloid.