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892592-54-0 | N-(3-THIENYLMETHYL)-1-BUTANAMINE
CAS No: 892592-54-0 Catalog No: AG0042ID MDL No:MFCD07411592
Product Description
Catalog Number:
AG0042ID
Chemical Name:
N-(3-THIENYLMETHYL)-1-BUTANAMINE
CAS Number:
892592-54-0
Molecular Formula:
C9H15NS
Molecular Weight:
169.2871
MDL Number:
MFCD07411592
IUPAC Name:
N-(thiophen-3-ylmethyl)butan-1-amine
InChI:
InChI=1S/C9H15NS/c1-2-3-5-10-7-9-4-6-11-8-9/h4,6,8,10H,2-3,5,7H2,1H3
InChI Key:
ULVKBQORUAAYML-UHFFFAOYSA-N
SMILES:
CCCCNCc1cscc1
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.093g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.286g/mol
Monoisotopic Mass:
169.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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