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869482-93-9 | 1H-1,4-Diazepin-6-amine, hexahydro-6-methyl-
CAS No: 869482-93-9 Catalog No: AG004OA9 MDL No:
Product Description
Catalog Number:
AG004OA9
Chemical Name:
1H-1,4-Diazepin-6-amine, hexahydro-6-methyl-
CAS Number:
869482-93-9
Molecular Formula:
C6H15N3
Molecular Weight:
129.2034
IUPAC Name:
6-methyl-1,4-diazepan-6-amine
InChI:
InChI=1S/C6H15N3/c1-6(7)4-8-2-3-9-5-6/h8-9H,2-5,7H2,1H3
InChI Key:
HRDGOMXHINSUHC-UHFFFAOYSA-N
SMILES:
CC1(N)CNCCNC1
Properties
Complexity:
84.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.127g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
129.207g/mol
Monoisotopic Mass:
129.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Mn(II) complexes of novel hexadentate AAZTA-like chelators: a solution thermodynamics and relaxometric study. | Dalton transactions (Cambridge, England : 2003) 20110307 |
| Facially coordinating triamine ligands with a cyclic backbone: some structure-stability correlations. | Inorganic chemistry 20101101 |
| AAZTA-based bifunctional chelating agents for the synthesis of multimeric/dendrimeric MRI contrast agents. | Organic & biomolecular chemistry 20101021 |
| Fast and easy access to efficient bifunctional chelators for MRI applications. | Bioorganic & medicinal chemistry letters 20090701 |
| First-transition-metal complexes containing the ligands 6-amino-6-methylperhydro-1,4-diazepine (AAZ) and a new functionalized derivative: can AAZ act as a mimetic ligand for 1,4,7-triazacyclononane? | Inorganic chemistry 20051031 |
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