Name: 4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole mononitrate
SKU: 118201-38-0

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Basic Information

Molecular Structure:
CAS No.:	118201-38-0
Name:	4,5-Dihydro-2-(1,2,3,4-tetrahydro-1-naphthalenyl)-1H-imidazole mononitrate

Formula:	C₁₃H₁₆N₂^.HNO₃
Molecular Weight:	200.2795
Synonyms:	2-Tetralin-1-yl-4,5-dihydro-1H-imidazole nitrate;
Density:	1.2 g/cm³
Boiling Point:	393.5 °C at 760 mmHg
Flash Point:	191.8 °C
Solubility:	at 25 deg C (mg/L): 31.09
Appearance:	white crystalline powder
PSA:	90.44000
LogP:	2.04810

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Specification

The Tetrahydrozoline nitrate with the cas number 118201-38-0 is also called 2-Tetralin-1-yl-4,5-dihydro-1H-imidazole nitrate. The systematic name is 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole nitrate. Its molecular formula is C₁₃H₁₆N₂^.HNO₃. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 1.94; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 15.14; (8)ACD/KOC (pH 7.4): 16.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å²; (13)Enthalpy of Vaporization: 61.83 kJ/mol; (14)Vapour Pressure: 4.8×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)O.N\1=C(\NCC/1)C3c2ccccc2CCC3
(2)InChI: InChI=1/C13H16N2.HNO3/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;2-1(3)4/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);(H,2,3,4)
(3)InChIKey: SVQFLMKSDLCPAY-UHFFFAOYAP