2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid

• ChemBase ID: 104393
• Molecular Formular: C14H15N3O3
• Molecular Mass: 273.2872
• Monoisotopic Mass: 273.11134136
• SMILES: O[N+](=O)[O-].C1CN=C(Cc2c3ccccc3ccc2)N1
• Canonical SMILES: C1CN=C(N1)Cc1cccc2c1cccc2.[O-][N+](=O)O
• InChI: InChI=1S/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)
• InChIKey: ZAHXYMFVNNUHCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole; nitric acid
• IUPAC Traditional name: acid, nitric; naphazoline; naphazoline; nitric acid
• Synonyms: 2-(1-Naphthylmethyl)imidazoline nitrate; Naphazoline nitrate; β-NAPHTHYLMETHYL-1'-IMIDAZOLINE NITRATE; Naphazoline nitrate; 2-(1-Naphthylmethyl)-2-imidazoline nitrate; 2-[1-Naphthylmethyl]imidazoline; NAPHAZOLINE; Naphazolini nitras; 2-(1-萘基甲基)咪唑啉 硝酸酯; 萘甲唑啉 硝酸酯; 2-(1-萘基甲基)-2-咪唑啉 硝酸盐; 硝酸萘甲唑啉

Database IDs

• CAS Number: 5144-52-5
• EC Number: 225-915-4
• MDL Number: MFCD00014316
• Beilstein Number: 3779329
• PubChem SID: 24886067; 24886064; 162091070
• PubChem CID: 82332

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22005366
• LogD (pH = 7.4): -0.070375994
• Log P: 2.193117
• Molar Refractivity: 65.5195 cm^3
• Polarizability: 26.432104 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167-170 °C; 168-170°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic
• RTECS: NJ4376000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22; R:22
• Safety Statements: 36-60; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (NT); 99%
• Grade: Ph Eur
• Ignition Residue: ≤0.1%
• Loss on Drying: ≤0.5% loss on drying
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Empirical Formula (Hill Notation): C14H14N2 · HNO3

DETAILS

MP Biomedicals - 05210546

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02155770

(2-[1-Naphthylmethyl]imidazoline) Nitrate Salt Crystalline

Sigma Aldrich - 70170

Packaging
25 g in glass bottle
Application
Therapeutic use to:
• Combat ammonia poisoning1
• Treat seasonal allergy rhinitis2Involved in studies on the effects of imidazole drugs on chronotropic and inotropic effects3Pharmacological activity for topical mydriatics and vasoconstrictors4Radioprotector for mice treated with ionizing radiation5

Sigma Aldrich - 70199

Application
Therapeutic use to:
• Combat ammonia poisoning1
• Treat seasonal allergy rhinitis2Involved in studies on the effects of imidazole drugs on chronotropic and inotropic effects3Pharmacological activity for topical mydriatics and vasoconstrictors4Radioprotector for mice treated with ionizing radiation5