7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

Base Information

• Chemical Name: 7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
• CAS No.: 1236-36-8
• Molecular Formula: C16H19 N5 O2 . Cl H
• Molecular Weight: 349.8153
• Hs Code.: 2933990090
• European Community (EC) Number: 214-977-8
• DSSTox Substance ID: DTXSID00154052
• Mol file: 1236-36-8.mol

Synonyms:1236-36-8;7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride;EINECS 214-977-8;7-(2-(Benzylamino)ethyl)theophylline hydrochloride;Theophylline, 7-(2-(benzylamino)ethyl)-, hydrochloride;7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid [German];7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride;7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid;7-(2-(Benzylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride;C16H19N5O2;DTXSID00154052;LS-149422;Theophylline, 7-[2-(benzylamino)ethyl]-, monohydrochloride;7-[2-(benzylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrochloride

Chemical Property of 7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

Chemical Property:

• Vapor Pressure: 5.35E-12mmHg at 25°C
• Boiling Point: 546.5°Cat760mmHg
• Flash Point: 284.3°C
• PSA: 73.85000
• Density: g/cm³
• LogP: 1.41640
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 349.1305526
• Heavy Atom Count: 24
• Complexity: 452

Purity/Quality:

99% ^*data from raw suppliers

7-(2-(BENZYLAMINO)ETHYL)THEOPHYLLINE HYDROCHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3.Cl