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113640-41-8 | 1,3-Propanediamine, N3,N3-diethyl-1-phenyl-
CAS No: 113640-41-8 Catalog No: AG00097Q MDL No:MFCD09838936
Product Description
Catalog Number:
AG00097Q
Chemical Name:
1,3-Propanediamine, N3,N3-diethyl-1-phenyl-
CAS Number:
113640-41-8
Molecular Formula:
C13H22N2
Molecular Weight:
206.3272
MDL Number:
MFCD09838936
IUPAC Name:
N',N'-diethyl-1-phenylpropane-1,3-diamine
InChI:
InChI=1S/C13H22N2/c1-3-15(4-2)11-10-13(14)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,14H2,1-2H3
InChI Key:
KSAIKFIIHCKXGT-UHFFFAOYSA-N
SMILES:
CCN(CCC(c1ccccc1)N)CC
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.178g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.333g/mol
Monoisotopic Mass:
206.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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