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52961-44-1 | Benzeneethanamine, alpha-(diethoxymethyl)-
CAS No: 52961-44-1 Catalog No: AG01FBET MDL No:
Product Description
Catalog Number:
AG01FBET
Chemical Name:
Benzeneethanamine, alpha-(diethoxymethyl)-
CAS Number:
52961-44-1
Molecular Formula:
C13H21NO2
Molecular Weight:
223.3113
IUPAC Name:
1,1-diethoxy-3-phenylpropan-2-amine
InChI:
InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)12(14)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10,14H2,1-2H3
InChI Key:
DLQJXFYFGMPEIU-UHFFFAOYSA-N
SMILES:
CCOC(C(Cc1ccccc1)N)OCC
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.316g/mol
Monoisotopic Mass:
223.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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