4-(Aminomethyl)benzo[b]thiophene

Base Information

• Chemical Name: 4-(Aminomethyl)benzo[b]thiophene
• CAS No.: 864264-04-0
• Molecular Formula: C9H9NS
• Molecular Weight: 163.23900
• DSSTox Substance ID: DTXSID90694356
• Wikidata: Q82623434
• Mol file: 864264-04-0.mol

Synonyms:4-(Aminomethyl)benzo[b]thiophene;864264-04-0;benzo[b]thiophen-4-ylmethanamine;1-benzothiophen-4-ylmethanamine;(1-benzothiophen-4-yl)methanamine;MFCD16660691;1-(1-Benzothiophen-4-yl)methanamine;benzo[b]thiophene-4-methanamine;SCHEMBL506756;4-aminomethyl-benzo[b]thiophene;DTXSID90694356;TZFMFHJVMMZUJF-UHFFFAOYSA-N;AKOS022906515;AS-32417;SY026086;CS-0456481;EN300-1271925

Chemical Property of 4-(Aminomethyl)benzo[b]thiophene

Chemical Property:

• Boiling Point: 303.9±17.0 °C(Predicted)
• PKA: 8.98±0.30(Predicted)
• PSA: 54.26000
• Density: 1.227±0.06 g/cm3(Predicted)
• LogP: 3.06030
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.04557046
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

99% ^*data from raw suppliers

4-(Aminomethyl)benzo[b]thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CSC2=C1)CN