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869942-31-4 | N-[(5-METHYL-2-THIENYL)METHYL]-2-BUTANAMINE
CAS No: 869942-31-4 Catalog No: AG004NWH MDL No:MFCD04543183
Product Description
Catalog Number:
AG004NWH
Chemical Name:
N-[(5-METHYL-2-THIENYL)METHYL]-2-BUTANAMINE
CAS Number:
869942-31-4
Molecular Formula:
C10H17NS
Molecular Weight:
183.3137
MDL Number:
MFCD04543183
IUPAC Name:
N-[(5-methylthiophen-2-yl)methyl]butan-2-amine
InChI:
InChI=1S/C10H17NS/c1-4-8(2)11-7-10-6-5-9(3)12-10/h5-6,8,11H,4,7H2,1-3H3
InChI Key:
MDCNRQVLVQOPJQ-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccc(s1)C)C
Properties
Complexity:
127
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:
4
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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