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Name |
3-(5-Aminopentanoyl)pyridine dihydrochloride |
EINECS | N/A |
CAS No. | 178758-80-0 | Density | N/A |
PSA | 55.98000 | LogP | 3.69760 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H14N2O.2HCl | Boiling Point | 396.3 °C at 760 mmHg |
Molecular Weight | 251.15 | Flash Point | 193.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Pentanone,5-amino-1-(3-pyridinyl)-, dihydrochloride (9CI);1-pentanone, 5-amino-1-(3-pyridinyl)-, hydrochloride (1:2); |
The 3-(5-Aminopentanoyl)pyridine dihydrochloride with cas registry number of 178758-80-0, belongs to the following product categories: (1)Chemical Amines; (2)Amines; (3)Heterocycles. It has the systematic name of 5-amino-1-pyridin-3-ylpentan-1-one dihydrochloride.
Physical properties about this chemical are: (1)ACD/LogP: 0.39; (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: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 55.98 Å2; (11)Enthalpy of Vaporization: 65.91 kJ/mol; (12)Vapour Pressure: 1.15E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(CCCCN)c1cccnc1;
(2)InChI: InChI=1/C10H14N2O.2ClH/c11-6-2-1-5-10(13)9-4-3-7-12-8-9;;/h3-4,7-8H,1-2,5-6,11H2;2*1H;
(3)InChIKey: NFLPKFRYMIEKOM-UHFFFAOYAF;
(4)Std. InChI: InChI=1S/C10H14N2O.2ClH/c11-6-2-1-5-10(13)9-4-3-7-12-8-9;;/h3-4,7-8H,1-2,5-6,11H2;2*1H;
(5)Std. InChIKey: NFLPKFRYMIEKOM-UHFFFAOYSA-N