N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride

• ChemBase ID: 104760
• Molecular Formular: C16H22ClN3
• Molecular Mass: 291.81898
• Monoisotopic Mass: 291.1502254
• SMILES: Cl.CN(C)CCN(Cc1ccccc1)c1ncccc1
• Canonical SMILES: CN(CCN(c1ccccn1)Cc1ccccc1)C.Cl
• InChI: InChI=1S/C16H21N3.ClH/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;/h3-11H,12-14H2,1-2H3;1H
• InChIKey: FSSICIQKZGUEAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride
• IUPAC Traditional name: tripelennamine hydrochloride
• Synonyms: N-benzyl-N-[2-(dimethylamino)ethyl]pyridin-2-amine hydrochloride; 2-(Benzyl[2-dimethylaminoethyl]amino)pyridine; N-Benzyl-N′,N′-dimethyl-N-(2-pyridyl)ethylenediamine hydrochloride; Tripelennamine hydrochloride; 2-[Benzyl(2-dimethylamino-ethyl)amino]pyridine; TRIPELENNAMINE HYDROCHLORIDE; Tripelennamine HCl; N1,N1-Dimethyl-N2-(phenylmethyl)-N2-2-pyridinyl-1,2-ethanediamine Hydrochloride; 2-[Benzyl[2-(dimethylamino)ethyl]amino]pyridine Monohydrochloride; Azaron; Dehistin Monohydrochloride; N-Benzyl-N',N'-dimethyl-N-2-pyridylethylenediamine Hydrochloride; NIH 10186; PBZ; Piristin; Pyribenzamine Hydrochloride; Pyribenzamine Monohydrochloride; Pyrinamine; ReCovr; Stanzamine; Tripelennamine Monohydrochloride; Vetibenzamine; Vetobenzamina; 2-(苄基[2-二甲基氨乙基]氨基)吡啶; N-苄基-N′,N′-二甲基-N-(2-吡啶基)乙二胺 盐酸盐; 苄吡二胺 盐酸盐

Database IDs

• CAS Number: 154-69-8
• EC Number: 205-833-5
• MDL Number: MFCD00012815
• PubChem SID: 24900456; 162091937
• PubChem CID: 9066

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.067917235
• LogD (pH = 7.4): 1.8188069
• Log P: 3.2011924
• Molar Refractivity: 81.2749 cm^3
• Polarizability: 30.94271 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid
• Melting Point: 188-192°C; 190-192°C
• Hydrophobicity(logP): 3.306

Safety Information

• Storage Condition: Refrigerator; Room Temperature (15-30°C), Protect from light
• RTECS: US3150000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:22
• Safety Statements: 26-36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Pharmacology Properties

• Target: Histamine Receptor

Product Information

• Purity: 95%; 99%
• Grade: analytical standard, for drug analysis
• Salt Data: HCl
• Empirical Formula (Hill Notation): C16H21N3 · HCl

DETAILS

MP Biomedicals - 02157112

Hydrochloride
Crystalline
An H₁ histamine receptor antagonist.

Toronto Research Chemicals - T808325

Tripelennamine is a first-generation antihistamine, used in the treatment of asthma, hay fever, and urticaria.

REFERENCES

• He, N., et al.: Eur. J. Clin. Pharmacol., 57, 847 (2002)
• Serafimova, R., et al.: Chemi. Res. Toxicol., 20, 1225 (2002)
• Fliri, A., et al.: J. Med. Chem., 52, 8038 (2002)