N-(2-aminoethyl)naphthalen-1-amine dihydrochloride

• ChemBase ID: 70438
• Molecular Formular: C12H16Cl2N2
• Molecular Mass: 259.17484
• Monoisotopic Mass: 258.06905388
• SMILES: C(CN)Nc1cccc2ccccc12.Cl.Cl
• Canonical SMILES: NCCNc1cccc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
• InChIKey: MZNYWPRCVDMOJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)naphthalen-1-amine dihydrochloride; N1-(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride
• IUPAC Traditional name: N-(1-naphthyl)ethylenediamine dihydrochloride
• Synonyms: N-(1-Naphthyl)ethylenediamine dihydrochloride; BRATTON'S REAGENT; N1-(Naphthalen-1-yl)ethane-1,2-diamine dihydrochloride; N-1-Naphthalenyl-1,2-ethanediamine hydrochloride; 2-(1-Naphthylamino)ethylamine dihydrochloride; N-(1-NAPHTHYL)ETHYLENEDIAMINE DIHYDROCHLORIDE; N-1-NaphthylethylenediaMine dihydrochloride; N-1-Naphthalenyl-1,2-ethanediamine dihydrochloride; NCI-C03281; N-(1-NAPHTHYL)ETHYLENEDIAMINE, ACS; 2-(1-萘氨基)乙胺 二盐酸盐; N-(1-萘基)乙二胺 二盐酸盐; N-(1-萘)乙二胺二盐酸盐

Database IDs

• CAS Number: 1465-25-4
• EC Number: 215-981-2
• MDL Number: MFCD00012556
• Beilstein Number: 3707471
• Merck Index: 146409
• PubChem SID: 24897888; 24860243; 162036156; 24853334
• PubChem CID: 15106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.360457
• LogD (pH = 7.4): -0.5188825
• Log P: 1.6385169
• Molar Refractivity: 60.6518 cm^3
• Polarizability: 24.321346 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: passes test
• Melting Point: 188°C; 188°C (dec.); 194-198 °C (dec.)(lit.); ca 195°C

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate, Protect from light
• Storage Warning: IRRITANT; Light Sensitive & Hygroscopic
• RTECS: KV5330000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; 26-37-60; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0%; >98%; ≥97.0%; ≥97.0% (calc. based on dry substance, AT); ≥98%; ≥98% (calc with ref. to anhyd. subst.); 95+%; 96%; 98%
• Grade: ACS; ACS reagent; for determination of sulfonamide and nitrite; purum; REAGENT; SAJ special grade
• Salt Data: 2 HCl
• Suitability: complies for identity; passes test for detection of sulfonamide; passes test for sensitivity to sulfanilamide; suitable for determination of nitroxide
• Ignition Residue: ≤0.1%
• Impurities: ≤0.01% 2-naphthylamine; ≤0.1% 1-naphthylamine; ≤5% water; ≤5% water (Karl Fischer)
• Linear Formula: C10H7NHCH2CH2NH2 · 2HCl

DETAILS

MP Biomedicals - 02102397

Dihydrochloride
Used for colorimetric determination of sulfonamide in blood. Also used for simultaneous spectrophotometric determination of nitrite and nitrate.

MP Biomedicals - 05212328

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02152549

ACS Reagent Grade
Dihydrochloride
Purity: ≥98.0% (Anhydrous basis)

Sigma Aldrich - N9125

包装
10, 25, 100 g in glass bottle

Sigma Aldrich - 222488

Packaging
5, 10, 25, 100, 500 g in glass bottle
Application
Coupling agent for the spectrophotometric determination of aminophenols, phenylenediamines, dinitroanilines, chloroanilines, thiols, and sulfonamides.1,2,3

REFERENCES

• Anderson, L., Anal. Chim. Acta , 110 : 123 (1979).