Structural formula
Business number | 0535 |
---|---|
Molecular formula | C12H10N2 |
Molecular weight | 182.22 |
label |
1-Methyl-9H-pyrido[3,4-b]indole, 2-Methyl-β-carboline, Aribine |
Numbering system
CAS number:486-84-0
MDL number:MFCD00004957
EINECS number:207-642-2
RTECS number:UV0280000
BRN number:143898
PubChem number:24873706
Physical property data
1. Character: Undetermined
2. Density (g/ m3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,Air=1): Undetermined
4. Melting point (ºC):235-238
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure ( kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
1 , acute toxicity: mice through abdominal cavityLD50: 50mg/kg, behavior – changes in sleep duration (including changes in sleep time) regular reflection);
Rabbit transdermalLD50: 200mg/kg, no details except lethal dose;
2 , Mutation data: mutation test system – instead of other specifiedTEST system: bacteria –Salmonella typhimurium: 100mg/L;
Microbial organisms TESTSystem mutation: E. coli:150mg/L;
DNA inhibitionTEST for System: Human cells:200 umol/L
Sister ChromatidsexchangeTESTSystem: human lymphocytes:50 umol/L
DNA AdductOralTESTSystem: Rodent–Rat:100mg/L;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1、 Molar refractive index:59.28
2、 Molar volume(m3/mol):145.4
3、 Isotonic specific volume(90.2K):406.3
4、 Surface tension(3.0 dyne/cm) :60.8
5、 Polarizability(0.5 10-24cm3):23.50
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 28.7
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 216
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Synthesis method
None
Purpose
None