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88655-03-2 | Benzeneethanamine, 4-(2-methylpropoxy)-
CAS No: 88655-03-2 Catalog No: AG0047VQ MDL No:MFCD09729206
Product Description
Catalog Number:
AG0047VQ
Chemical Name:
Benzeneethanamine, 4-(2-methylpropoxy)-
CAS Number:
88655-03-2
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD09729206
IUPAC Name:
2-[4-(2-methylpropoxy)phenyl]ethanamine
InChI:
InChI=1S/C12H19NO/c1-10(2)9-14-12-5-3-11(4-6-12)7-8-13/h3-6,10H,7-9,13H2,1-2H3
InChI Key:
ZHKGWDGMUKUETJ-UHFFFAOYSA-N
SMILES:
NCCc1ccc(cc1)OCC(C)C
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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