N-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide

Base Information

• Chemical Name: N-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide
• CAS No.: 88630-42-6
• Molecular Formula: C14H20 N2 O
• Molecular Weight: 232.32
• European Community (EC) Number: 632-967-5
• DSSTox Substance ID: DTXSID20387663
• Wikidata: Q82182052
• ChEMBL ID: CHEMBL1467654
• Mol file: 88630-42-6.mol

Synonyms:88630-42-6;N-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide;Cambridge id 6500388;MLS000681054;SCHEMBL6081560;CHEMBL1467654;DTXSID20387663;2-(N-BUTYLCARBAMOYL)-1,2,3,4-TETRAHYDROISOQUINOLINE;HMS2575G22;STK996887;AKOS001648908;SMR000269332;AB00109136-01;SR-01000486030;N-butyl-3,4-dihydro-2(1H)-isoquinolinecarboxamide;SR-01000486030-1

Chemical Property of N-butyl-3,4-dihydroisoquinoline-2(1H)-carboxamide

Chemical Property:

• PSA: 35.83000
• LogP: 2.69670
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 232.157563266
• Heavy Atom Count: 17
• Complexity: 255

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)N1CCC2=CC=CC=C2C1