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14497-54-2 | 2-Furanethanamine, N-methyl-
CAS No: 14497-54-2 Catalog No: AG001KEY MDL No:
Product Description
Catalog Number:
AG001KEY
Chemical Name:
2-Furanethanamine, N-methyl-
CAS Number:
14497-54-2
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
2-(furan-2-yl)-N-methylethanamine
InChI:
InChI=1S/C7H11NO/c1-8-5-4-7-3-2-6-9-7/h2-3,6,8H,4-5H2,1H3
InChI Key:
QYRROBPCVBPJJS-UHFFFAOYSA-N
SMILES:
CNCCc1ccco1
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:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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