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893611-80-8 | N-[(3-METHYL-2-THIENYL)METHYL]-1-BUTANAMINE
CAS No: 893611-80-8 Catalog No: AG003XQ4 MDL No:MFCD07409986
Product Description
Catalog Number:
AG003XQ4
Chemical Name:
N-[(3-METHYL-2-THIENYL)METHYL]-1-BUTANAMINE
CAS Number:
893611-80-8
Molecular Formula:
C10H17NS
Molecular Weight:
183.3137
MDL Number:
MFCD07409986
IUPAC Name:
N-[(3-methylthiophen-2-yl)methyl]butan-1-amine
InChI:
InChI=1S/C10H17NS/c1-3-4-6-11-8-10-9(2)5-7-12-10/h5,7,11H,3-4,6,8H2,1-2H3
InChI Key:
CPRAFZHFARXMIU-UHFFFAOYSA-N
SMILES:
CCCCNCc1sccc1C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.313g/mol
Monoisotopic Mass:
183.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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