6-Amino-2-methyl-2-heptanol hydrochloride
Structural formula
| Business number | 05LW |
|---|---|
| Molecular formula | C8H20NOCl |
| Molecular weight | 181.70 |
| label |
Heptaminol acid, 6-amino-2-methyl-2-hexanol hydrochloride, 6-Amino-2-methyl-2-heptanohydrochloride, 2-Methyl-6-amino-2-heptanolhydrochloride |
Numbering system
CAS number:543-15-7
MDL number:MFCD00013015
EINECS number:208-837-5
RTECS number:MJ3240000
BRN number:None
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Density (g/ cm3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,Air=1): Undetermined
4. Melting point (ºC):165-167
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,66.70kPa): 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,55.1ºC): 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: human oral TDLo: 28ug/kg, heart – pulse rate increased, but did not decreaseB, Pkidney, ureter, bladder–Increased urine output, skin and appendages –sweating;
Mice transperitoneallyLD50: 900mg/kg, no details except lethal dose;
Guinea Pig Sutra Unknown PathLDLo：670mg/kg，No details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 46.2
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 91.3
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 2
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None