Cas no 114662-79-2 (2,5-dimethylheptane-1,4,7-triamine)
114662-79-2 structure
Product Name:2,5-dimethylheptane-1,4,7-triamine
CAS No:114662-79-2
MF:C9H23N3
MW:173.299021959305
CID:2613286
PubChem ID:21885387
Update Time:2025-04-21
2,5-dimethylheptane-1,4,7-triamine Chemical and Physical Properties
Names and Identifiers
-
- 2,5-dimethylheptane-1,4,7-triamine
- SCHEMBL118505
- 114662-79-2
- DTXSID60619435
-
- Inchi： 1S/C9H23N3/c1-7(6-11)5-9(12)8(2)3-4-10/h7-9H,3-6,10-12H2,1-2H3
- InChI Key： NPNWQHCXLCJOIK-UHFFFAOYSA-N
- SMILES： NC(CC(C)CN)C(C)CCN
Computed Properties
- Exact Mass: 173.189197746Da
- Monoisotopic Mass: 173.189197746Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 106
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 78.1?2
2,5-dimethylheptane-1,4,7-triamine Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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