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15995-42-3 | 1,3-Propanediamine, 2-(aminomethyl)-2-methyl-
CAS No: 15995-42-3 Catalog No: AG001RJZ MDL No:
Product Description
Catalog Number:
AG001RJZ
Chemical Name:
1,3-Propanediamine, 2-(aminomethyl)-2-methyl-
CAS Number:
15995-42-3
Molecular Formula:
C5H15N3
Molecular Weight:
117.1927
IUPAC Name:
2-(aminomethyl)-2-methylpropane-1,3-diamine
InChI:
InChI=1S/C5H15N3/c1-5(2-6,3-7)4-8/h2-4,6-8H2,1H3
InChI Key:
UGDSCHVVUPHIFM-UHFFFAOYSA-N
SMILES:
NCC(CN)(CN)C
Properties
Complexity:
50.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.127g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
117.196g/mol
Monoisotopic Mass:
117.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
Literature
| Title | Journal |
|---|---|
| Iron(II) complexes of new hexadentate 1,1,1-tris-(iminomethyl)ethane podands, and their 7-methyl-1,3,5-triazaadamantane rearrangement products. | Dalton transactions (Cambridge, England : 2003) 20120407 |
| A potent trivalent sialic acid inhibitor of adenovirus type 37 infection of human corneal cells. | Angewandte Chemie (International ed. in English) 20110711 |
| Rhenium and 99m-technetium complexes of monosaccharide based tripodal triamines as potential radio imaging agents. | Dalton transactions (Cambridge, England : 2003) 20090714 |
| Modular syntheses of multidentate ligands with variable N-donors: applications to tri- and tetracopper(I) complexes. | Dalton transactions (Cambridge, England : 2003) 20070728 |
| Dynamic structural change of a twisted hexaporphyrin complex by highly specific molecular recognition. | Inorganic chemistry 20040531 |
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