1-Methylpyrrolidine 1-Methylpyrrolidine
Structural formula
| Business number | 03D1 |
|---|---|
| Molecular formula | C5H11N |
| Molecular weight | 85.15 |
| label |
1-methylpyrrolidine, 1-methylpyridine, N-methyltetrahydropyrrole, N-methylpyrrolidine, 1-methyl, 1-methyl-pyrrolidin, Methylpyrrolidine, methylpyrrolidine(non-specificname), N-Methyltetrahydropyrrole, Pyrrolidine, N-methyl, Heterocyclic compounds |
Numbering system
CAS number:120-94-5
MDL number:MFCD00003173
EINECS number:204-438-5
RTECS number:UY1420500
BRN number:102445
PubChem number:24885883
Physical property data
1. Character:Colorless, transparent and volatile liquid
2. Relative density:0.819
3. Refractive index:1.4240
4. Flashpoint (℃):-21
5. Melting point (℃):-90
6. Boiling point (ºC): 80 ~81
7. Water-soluble：FULLY MISCIBLE
Toxicological data
1, acute toxicity: mouse peritoneal cavity LD50: 178mg/kg
small Mouse intravenous injectionLD50：47mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index:26.72 2. Molar volume（m3/mol）：99.7 3. Isotonic specific volume（90.2K）：226.9 , acute toxicity: mouse peritoneal cavity LD50 ：178mg/kg small Mouse intravenous injectionLD50：47mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1. Molar refractive index:26.72 2. Molar volume（m3/mol）：99.7 3. Isotonic specific volume（90.2K）：226.9 4. Surface tension（dyne/cm）：26.7 5. Dielectric constant: 6. Dipole moment(10-24cm3) ： 7. Polarizability:10.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 37.2
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
1. Basic properties
Colorless, transparent and volatile liquid. Freezing point -90℃. Easily soluble in water and soluble in organic solvents such as alcohol and ether.
Storage method
None yet
Synthesis method
None yet
Purpose
2. Purpose
Pharmaceutical intermediates.
SPAN>
4. Surface tension（dyne/cm）：26.7
5. Dielectric constant:
6. Dipole moment(10-24cm3) ：
7. Polarizability:10.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 3.2
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 37.2
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
1. Basic properties
Colorless, transparent and volatile liquid. Freezing point -90℃. Easily soluble in water and soluble in organic solvents such as alcohol and ether.
Storage method
None yet
Synthesis method
None yet
Purpose
2. Purpose
Pharmaceutical intermediates.
Storage method
None yet
Synthesis method
None yet
Purpose
2. Purpose
Pharmaceutical intermediates.