4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline

Base Information

• Chemical Name: 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline
• CAS No.: 904813-84-9
• Molecular Formula: C15H17 N3
• Molecular Weight: 239.32
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00378034
• Mol file: 904813-84-9.mol

Synonyms:904813-84-9;4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline;4-(2,3,4,5-TETRAHYDRO-1H-BENZO[B][1,4]DIAZEPIN-2-YL)-PHENYLAMINE;4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)aniline;MFCD06245406;DTXSID00378034;AKOS005254921;2-(4-Aminophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

Chemical Property of 4-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline

Chemical Property:

• Vapor Pressure: 5.12E-09mmHg at 25°C
• Refractive Index: 1.611
• Boiling Point: 470.3°Cat760mmHg
• PKA: 8.35±0.40(Predicted)
• Flash Point: 283.1°C
• PSA: 50.08000
• Density: 1.126g/cm³
• LogP: 4.09480
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 239.142247555
• Heavy Atom Count: 18
• Complexity: 261

Purity/Quality:

NLT 98% ^*data from raw suppliers

4-(2,3,4,5-Tetrahydro-1H-1,5-benzodiazepin-2-yl)aniline ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC2=CC=CC=C2NC1C3=CC=C(C=C3)N