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119451-18-2 | 3-Thiophenepropanamine
CAS No: 119451-18-2 Catalog No: AG000ITT MDL No:MFCD09912909
Product Description
Catalog Number:
AG000ITT
Chemical Name:
3-Thiophenepropanamine
CAS Number:
119451-18-2
Molecular Formula:
C7H11NS
Molecular Weight:
141.2339
MDL Number:
MFCD09912909
IUPAC Name:
3-thiophen-3-ylpropan-1-amine
InChI:
InChI=1S/C7H11NS/c8-4-1-2-7-3-5-9-6-7/h3,5-6H,1-2,4,8H2
InChI Key:
BAKKNRUWGAAXIT-UHFFFAOYSA-N
SMILES:
NCCCc1cscc1
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.061g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.232g/mol
Monoisotopic Mass:
141.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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