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87986-25-2 | Benzenamine, 4-butyl-3-methyl-
CAS No: 87986-25-2 Catalog No: AG004HS1 MDL No:MFCD20696052
Product Description
Catalog Number:
AG004HS1
Chemical Name:
Benzenamine, 4-butyl-3-methyl-
CAS Number:
87986-25-2
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD20696052
IUPAC Name:
4-butyl-3-methylaniline
InChI:
InChI=1S/C11H17N/c1-3-4-5-10-6-7-11(12)8-9(10)2/h6-8H,3-5,12H2,1-2H3
InChI Key:
OBDMTWXVLULNCA-UHFFFAOYSA-N
SMILES:
CCCCc1ccc(cc1C)N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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