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| CAS No.: | 14613-37-7 |
|---|---|
| Name: | 3-(Aminomethyl)-1-methylpiperidine |
| Molecular Structure: | |
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| Formula: | C7H16N2 |
| Molecular Weight: | 128.21 |
| Synonyms: | Piperidine,3-(aminomethyl)-1-methyl- (6CI,7CI,8CI);1-(1-Methylpiperidin-3-yl)methanamine;3-(Aminomethyl)-1-methylpiperidine;3-(Aminomethyl)-N-methylpiperidine;N-Methyl-3-(aminomethyl)piperidine;[(1-Methylpiperidin-3-yl)methyl]amine; |
| Density: | 0.901g/cm3 |
| Boiling Point: | 155.347 °C at 760 mmHg |
| Flash Point: | 48.27 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 29.26000 |
| LogP: | 0.92510 |
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Specification
The 3-(Aminomethyl)-1-methylpiperidine, with cas registry number 14613-37-7, has the systematic name of 1-(1-methylpiperidin-3-yl)methanamine. It is also called C-(1-methyl-piperidin-3-yl)-methylamine, hcl.
Physical properties about this chemical are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.26 Å2; (11)Index of Refraction: 1.468; (12)Molar Refractivity: 39.562 cm3; (13)Molar Volume: 142.251 cm3; (14)Polarizability: 15.684×10-24cm3; (15)Surface Tension: 30.681 dyne/cm; (16)Enthalpy of Vaporization: 39.209 kJ/mol; (17)Vapour Pressure: 3.043 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NCC1CCCN(C)C1
(2)InChI: InChI=1/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
(3)InChIKey: KEDTYNCWGSIWBK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C7H16N2/c1-9-4-2-3-7(5-8)6-9/h7H,2-6,8H2,1H3
(5)Std. InChIKey: KEDTYNCWGSIWBK-UHFFFAOYSA-N