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13910-48-0 | 1,3-Propanediamine, N1-(phenylmethyl)-
CAS No: 13910-48-0 Catalog No: AG001A9X MDL No:MFCD00274361
Product Description
Catalog Number:
AG001A9X
Chemical Name:
1,3-Propanediamine, N1-(phenylmethyl)-
CAS Number:
13910-48-0
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
MDL Number:
MFCD00274361
IUPAC Name:
N'-benzylpropane-1,3-diamine
InChI:
InChI=1S/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2
InChI Key:
RFLHDXQRFPJPRR-UHFFFAOYSA-N
SMILES:
NCCCNCc1ccccc1
EC Number:
237-680-5
Properties
Complexity:
98
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| DNA Interaction and DNA Cleavage Studies of a New Platinum(II) Complex Containing Aliphatic and Aromatic Dinitrogen Ligands. | Bioinorganic chemistry and applications 20110101 |
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