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137273-33-7 | Benzenamine, N-3-butyn-1-yl-N-methyl-
CAS No: 137273-33-7 Catalog No: AG001312 MDL No:
Product Description
Catalog Number:
AG001312
Chemical Name:
Benzenamine, N-3-butyn-1-yl-N-methyl-
CAS Number:
137273-33-7
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
IUPAC Name:
N-but-3-ynyl-N-methylaniline
InChI:
InChI=1S/C11H13N/c1-3-4-10-12(2)11-8-6-5-7-9-11/h1,5-9H,4,10H2,2H3
InChI Key:
YVSNCSAARRCSPB-UHFFFAOYSA-N
SMILES:
CN(c1ccccc1)CCC#C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.105g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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