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5144-52-5

Basic Information
CAS No.: 5144-52-5
Name: Naphazoline nitrate
Molecular Structure:
Molecular Structure of 5144-52-5 (Naphazoline nitrate)
Formula: C14H14N2.HNO3
Molecular Weight: 273.32
Synonyms: Naphthizen;Rino Naftazolina;Prizoliene N;Naphazoline nitrate (JP14);Benil;Minha;Sanorin;Clera;Privine (British);Vistalbalon;Naphthisin;Imizol;Proculin;1H-Imidazole,4,5-dihydro-2-(1-naphthalenylmethyl)-,mononitrate;Sanorin Spofa;Privine;Privin;Privine (TN);Rhinon;Naftizin;Rinazina;Naphtyzin;Privine nitrate;Prizoliene A;Imidazyl;Septobore;Naphthisen;
EINECS: 225-915-4
Density:
Melting Point: 167-170 °C
Boiling Point: 440.5 °C at 760 mmHg
Flash Point: 220.2 °C
Solubility:
Appearance: COA
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 22-36/37
Transport Information:
PSA: 90.44000
LogP: 2.32390
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Specification

The IUPAC name of Naphazoline nitrate is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid. With the CAS registry number 5144-52-5, it is also named as Imidazyl. The classification code is Drug / Therapeutic Agent. It is white solid which is stable under stable temperature and pressure. It is adrenomimetic drug which has pressor function, so it can used in the common cold, rhinitis, nasal congestion, etc. When heated to decomposition it emits toxic fumes of NOx. Additionally, Naphazoline nitrate must be sealed in the container and placed in the cool and dry aera.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 5.25; (6)ACD/BCF (pH 7.4): 5.94; (7)ACD/KOC (pH 5.5): 30.82; (8)ACD/KOC (pH 7.4): 34.89; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Flash Point: 220.2 °C; (13)Enthalpy of Vaporization: 67.07 kJ/mol; (14)Boiling Point: 440.5 °C at 760 mmHg; (15)Vapour Pressure: 1.52E-07 mmHg at 25°C; (16)Rotatable Bond Count: 2; (17)Exact Mass: 273.111341; (18)MonoIsotopic Mass: 273.111341; (19)Topological Polar Surface Area: 90.4; (20)Heavy Atom Count: 20; (21)Complexity: 297.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves. 

People can use the following data to convert to the molecule structure.
1. SMILES:[O-][N+](=O)O.N\1=C(\NCC/1)Cc2cccc3c2cccc3
2. InChI:InChI=1/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)

The following are the toxicity data which has been tested. 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 66mg/kg (66mg/kg)   Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966.
mouse LD50 intravenous 13200ug/kg (13.2mg/kg)   Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966.
mouse LD50 oral 265mg/kg (265mg/kg)   Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966.
mouse LD50 subcutaneous 170mg/kg (170mg/kg)   Drugs in Japan Vol. 6, Pg. 539, 1982.
rabbit LD50 intravenous 800ug/kg (0.8mg/kg)   Drugs in Japan Vol. 6, Pg. 539, 1982.
rabbit LD50 oral 50mg/kg (50mg/kg)   Drugs in Japan Vol. 6, Pg. 539, 1982.
rabbit LD50 subcutaneous 950ug/kg (0.95mg/kg)   Drugs in Japan Vol. 6, Pg. 539, 1982.
rat LD50 oral 1260mg/kg (1260mg/kg)   Farmaco, Edizione Pratica. Vol. 21, Pg. 204, 1966.
rat LD50 subcutaneous 385mg/kg (385mg/kg)   Drugs in Japan Vol. 6, Pg. 539, 1982.