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138971-91-2 | Benzenamine, N-(1-ethyl-1-methyl-2-propyn-1-yl)-4-methoxy-
CAS No: 138971-91-2 Catalog No: AG0019XU MDL No:
Product Description
Catalog Number:
AG0019XU
Chemical Name:
Benzenamine, N-(1-ethyl-1-methyl-2-propyn-1-yl)-4-methoxy-
CAS Number:
138971-91-2
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
4-methoxy-N-(3-methylpent-1-yn-3-yl)aniline
InChI:
InChI=1S/C13H17NO/c1-5-13(3,6-2)14-11-7-9-12(15-4)10-8-11/h1,7-10,14H,6H2,2-4H3
InChI Key:
DUFOLVJEAOQQIK-UHFFFAOYSA-N
SMILES:
CCC(Nc1ccc(cc1)OC)(C#C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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