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137069-28-4 | N-[2-(4-Isopropylphenyl)ethyl]-N-methylamine
CAS No: 137069-28-4 Catalog No: AG01FANE MDL No:
Product Description
Catalog Number:
AG01FANE
Chemical Name:
N-[2-(4-Isopropylphenyl)ethyl]-N-methylamine
CAS Number:
137069-28-4
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
IUPAC Name:
N-methyl-2-(4-propan-2-ylphenyl)ethanamine
InChI:
InChI=1S/C12H19N/c1-10(2)12-6-4-11(5-7-12)8-9-13-3/h4-7,10,13H,8-9H2,1-3H3
InChI Key:
PUXGNVRZDBHNCU-UHFFFAOYSA-N
SMILES:
CNCCc1ccc(cc1)C(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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