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| CAS No.: | 35621-01-3 |
|---|---|
| Name: | 4-Aminopiperidine dihydrochloride |
| Molecular Structure: | |
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| Formula: | C5H12N2.2(HCl) |
| Molecular Weight: | 173.086 |
| Synonyms: | 4-Piperidinamine,dihydrochloride (9CI); |
| Melting Point: | 170-175ºC |
| Boiling Point: | 158.9 °C at 760 mmHg |
| Flash Point: | 53.4 °C |
| Appearance: | Off-white solid |
| Safety: | 24/25 |
| PSA: | 38.05000 |
| LogP: | 2.33020 |
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Specification
The systematic name of this chemical is 4-ammoniopiperidinium dichloride. With the CAS registry number 35621-01-3, it is also named as 4-Piperidinamine dihydrochloride. The product's categories are Piperidines, Piperidones, Piperazines; Piperidine. The molecular formula is C5H12N2.2(HCl) and molecular weight is 173.08.
The other characteristics of 4-Aminopiperidine dihydrochloride can be summarized as: (1)ACD/LogP: -0.46; (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: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 0 Å2; (11)Flash Point: 53.4 °C; (12)Enthalpy of Vaporization: 39.55 kJ/mol; (13)Boiling Point: 158.9 °C at 760 mmHg; (14)Vapour Pressure: 2.57 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES:[Cl-].[Cl-].[NH3+]C1CC[NH2+]CC1
2. InChI:InChI=1/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H
3. InChIKey:SGQDWDWJCYEUNC-UHFFFAOYAR
4. Std. InChI:InChI=1S/C5H12N2.2ClH/c6-5-1-3-7-4-2-5;;/h5,7H,1-4,6H2;2*1H
5. Std. InChIKey:SGQDWDWJCYEUNC-UHFFFAOYSA-N