Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pentanamidine hydrochloride |
EINECS | N/A |
CAS No. | 18257-46-0 | Density | N/A |
PSA | 49.87000 | LogP | 2.71460 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H12N2·ClH | Boiling Point | 141.9 °C at 760 mmHg |
Molecular Weight | 136.625 | Flash Point | 39.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pentanimidamide, hydrochloride (1:1);Butylamidine hydrochloride;Valeramidine hydrochloride; |
Article Data | 10 |
The Pentanamidine hydrochloride, with the CAS registry number 18257-46-0, is also known as Valeramidine hydrochloride. This chemical's molecular formula is C5H12N2·ClH and molecular weight is 136.62. What's more, its systematic name is pentanimidoylammonium chloride.
Physical properties of Pentanamidine hydrochloride are: (1)ACD/LogP: 0.295; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.71; (4)ACD/LogD (pH 7.4): -1.70; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.36 Å2; (13)Flash Point: 39.6 °C; (14)Enthalpy of Vaporization: 37.91 kJ/mol; (15)Boiling Point: 141.9 °C at 760 mmHg; (16)Vapour Pressure: 5.72 mmHg at 25°C.
Uses of Pentanamidine hydrochloride: it can be used to produce 2-butyl-quinazoline-6-carbonitrile by heating. It will need reagents K2CO4, molecular sieves 4 Angstroem and solvent acetonitrile. The yield is about 73%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.[N@H]=C(N)CCCC
(2)Std. InChI: InChI=1S/C5H12N2.ClH/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
(3)Std. InChIKey: FFHQVTXPIOPINO-UHFFFAOYSA-N