Basic Information | Post buying leads | Suppliers |
Name |
Prosta-Capsules (9CI) |
EINECS | N/A |
CAS No. | 81278-84-4 | Density | 1.36 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H13ClN4 | Boiling Point | 514.6 °C at 760 mmHg |
Molecular Weight | 0 | Flash Point | 265 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-; |
The Prosta-Capsules (9CI), with the CAS registry number of 81278-84-4, is also known as 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-. This chemical's molecular formula is C14H13ClN4 and molecular weight is 272.7328. What's more, its systematic name is 7-Chloro-N-methyl-5-(1H-pyrrol-2-yl)-3H-1,4-benzodiazepin-2-amine. This chemical is used to treat urinary disorders.
Physical properties about the Prosta-Capsules (9CI) are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 3.69; (6)ACD/BCF (pH 7.4): 11.11; (7)ACD/KOC (pH 5.5): 64.36; (8)ACD/KOC (pH 7.4): 193.61; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.89 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 76.04 cm3; (15)Molar Volume: 199.7 cm3; (16)Surface Tension: 49.8 dyne/cm; (17)Density: 1.36 g/cm3; (18)Flash Point: 265 °C; (19)Enthalpy of Vaporization: 78.63 kJ/mol; (20)Boiling Point: 514.6 °C at 760 mmHg; (21)Vapour Pressure: 1.06E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc3cc\1c(/N=C(/NC)C/N=C/1c2cccn2)cc3
(2) InChI: InChI=1/C14H13ClN4/c1-16-13-8-18-14(12-3-2-6-17-12)10-7-9(15)4-5-11(10)19-13/h2-7,17H,8H2,1H3,(H,16,19)
(3) InChIKey: LEAKQIXYSHIHCW-UHFFFAOYAH