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81278-84-4

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Basic Information
CAS No.: 81278-84-4
Name: Prosta-Capsules
Molecular Structure:
Molecular Structure of 81278-84-4 (Prosta-Capsules)
Formula: C14H13ClN4
Molecular Weight: 0
Synonyms: 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-(1H-pyrrol-2-yl)-;
Density: 1.36 g/cm3
Boiling Point: 514.6 °C at 760 mmHg
Flash Point: 265 °C
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Specification

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