4-(1H-Pyrrol-1-YL)benzylamine

Base Information

• Chemical Name: 4-(1H-Pyrrol-1-YL)benzylamine
• CAS No.: 465514-27-6
• Molecular Formula: C₁₁H₁₂N₂
• Molecular Weight: 172.23
• Hs Code.: 2933990090
• European Community (EC) Number: 640-796-2
• DSSTox Substance ID: DTXSID20353065
• Wikidata: Q72505730
• Mol file: 465514-27-6.mol

Synonyms:4-(1H-PYRROL-1-YL)BENZYLAMINE;465514-27-6;(4-(1H-Pyrrol-1-yl)phenyl)methanamine;(4-pyrrol-1-ylphenyl)methanamine;(1-4-Aminomethylphenyl)pyrrole;[4-(1H-Pyrrol-1-Yl)Phenyl]Methanamine;1-[4-(1H-pyrrol-1-yl)phenyl]methanamine;SCHEMBL112197;DTXSID20353065;AMY26847;MFCD03659728;STK684047;AKOS001740768;PS-4308;SB62262;SDCCGMLS-0066060.P001;4-(1H-pyrrol-1-yl)benzylamine, AldrichCPR;A7238;CS-0200028;FT-0616484;J-501309;(4-(1H-pyrrol-1-yl)phenyl)methanamine;(1-4-AMINOMETHYLPHENYL)PYRROLE

Chemical Property of 4-(1H-Pyrrol-1-YL)benzylamine

Chemical Property:

• Vapor Pressure: 0.000866mmHg at 25°C
• Melting Point: 84 °C
• Refractive Index: 1.589
• Boiling Point: 304.6 °C at 760 mmHg
• PKA: 8.73±0.10(Predicted)
• Flash Point: 138 °C
• PSA: 30.95000
• Density: 1.07 g/cm³
• LogP: 2.63630
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.100048391
• Heavy Atom Count: 13
• Complexity: 144

Purity/Quality:

98%min ^*data from raw suppliers

[4-(1H-Pyrrol-1-yl)phenyl]methylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN(C=C1)C2=CC=C(C=C2)CN