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100054-18-0 | Benzenemethanamine, N-methyl-α-propyl-
CAS No: 100054-18-0 Catalog No: AG0000Q0 MDL No:
Product Description
Catalog Number:
AG0000Q0
Chemical Name:
Benzenemethanamine, N-methyl-α-propyl-
CAS Number:
100054-18-0
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
N-methyl-1-phenylbutan-1-amine
InChI:
InChI=1S/C11H17N/c1-3-7-11(12-2)10-8-5-4-6-9-10/h4-6,8-9,11-12H,3,7H2,1-2H3
InChI Key:
QOJATMCXDSVSGV-UHFFFAOYSA-N
SMILES:
CCCC(c1ccccc1)NC
Properties
Complexity:
106
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:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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