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13125-62-7 | Benzenepropanamine, N-ethyl-
CAS No: 13125-62-7 Catalog No: AG000VT9 MDL No:MFCD08691705
Product Description
Catalog Number:
AG000VT9
Chemical Name:
Benzenepropanamine, N-ethyl-
CAS Number:
13125-62-7
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD08691705
IUPAC Name:
N-ethyl-3-phenylpropan-1-amine
InChI:
InChI=1S/C11H17N/c1-2-12-10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3
InChI Key:
LKGGWEZXOKZNML-UHFFFAOYSA-N
SMILES:
CCNCCCc1ccccc1
Properties
Complexity:
95.2
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:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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