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79874-38-7 | Benzenamine, 2-methyl-N-(1-methyl-2-propynyl)-
CAS No: 79874-38-7 Catalog No: AG00554J MDL No:MFCD01105360
Product Description
Catalog Number:
AG00554J
Chemical Name:
Benzenamine, 2-methyl-N-(1-methyl-2-propynyl)-
CAS Number:
79874-38-7
Molecular Formula:
C11H13N
Molecular Weight:
159.2276
MDL Number:
MFCD01105360
IUPAC Name:
N-but-3-yn-2-yl-2-methylaniline
InChI:
InChI=1S/C11H13N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h1,5-8,10,12H,2-3H3
InChI Key:
NRTSXSPAJCPIPU-UHFFFAOYSA-N
SMILES:
C#CC(Nc1ccccc1C)C
Properties
Complexity:
177
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:
1
Isotope Atom Count:
0
Molecular Weight:
159.232g/mol
Monoisotopic Mass:
159.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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