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88961-63-1 | 2-Thiophenecarboxamide, 5-(3-aminobutyl)-
CAS No: 88961-63-1 Catalog No: AG0047ID MDL No:
Product Description
Catalog Number:
AG0047ID
Chemical Name:
2-Thiophenecarboxamide, 5-(3-aminobutyl)-
CAS Number:
88961-63-1
Molecular Formula:
C9H14N2OS
Molecular Weight:
198.2853
IUPAC Name:
5-(3-aminobutyl)thiophene-2-carboxamide
InChI:
InChI=1S/C9H14N2OS/c1-6(10)2-3-7-4-5-8(13-7)9(11)12/h4-6H,2-3,10H2,1H3,(H2,11,12)
InChI Key:
AWVUWCVBGZBCRM-UHFFFAOYSA-N
SMILES:
CC(CCc1ccc(s1)C(=O)N)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.284g/mol
Monoisotopic Mass:
198.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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