4-Butyl-benzamidine

Base Information

• Chemical Name: 4-Butyl-benzamidine
• CAS No.: 28456-39-5
• Molecular Formula: C₁₁H₁₆N₂
• Molecular Weight: 176.261
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID50402373
• Nikkaji Number: J1.949.265F
• Wikidata: Q82205774
• Mol file: 28456-39-5.mol

Synonyms:28456-39-5;4-BUTYL-BENZAMIDINE;4-Butylbenzimidamide;4-n-Butyl-benzamidine;4-butylbenzenecarboximidamide;Benzenecarboximidamide, 4-butyl-;4-Butylbenzamidine;SCHEMBL8995527;4-butylbenzene-1-carboximidamide;DTXSID50402373;AKOS006293223;SB36376;CS-0450455;FT-0692427

Chemical Property of 4-Butyl-benzamidine

Chemical Property:

• Vapor Pressure: 0.00502mmHg at 25°C
• Refractive Index: 1.537
• Boiling Point: 275.7°C at 760 mmHg
• PKA: 12.25±0.50(Predicted)
• Flash Point: 120.5°C
• PSA: 49.87000
• Density: 1.01g/cm³
• LogP: 3.11330
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 176.131348519
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

4-Butyl-benzamidine 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=C(C=C1)C(=N)N