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1148043-65-5 | Benzenemethanamine, 3-butyl-
CAS No: 1148043-65-5 Catalog No: AG000F8Q MDL No:
Product Description
Catalog Number:
AG000F8Q
Chemical Name:
Benzenemethanamine, 3-butyl-
CAS Number:
1148043-65-5
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
(3-butylphenyl)methanamine
InChI:
InChI=1S/C11H17N/c1-2-3-5-10-6-4-7-11(8-10)9-12/h4,6-8H,2-3,5,9,12H2,1H3
InChI Key:
DAFKRRVQIUUBIS-UHFFFAOYSA-N
SMILES:
CCCCc1cccc(c1)CN
Properties
Complexity:
112
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:
4
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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