Cas no 860382-50-9 (1,2,3-Propanetriamine,N1-(2,3-diaminopropyl)-)
860382-50-9 structure
Product Name:1,2,3-Propanetriamine,N1-(2,3-diaminopropyl)-
CAS No:860382-50-9
MF:C6H19N5
MW:161.248560190201
CID:718161
PubChem ID:88766362
Update Time:2025-04-19
1,2,3-Propanetriamine,N1-(2,3-diaminopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetriamine,N1-(2,3-diaminopropyl)-
- Diethylenetriamine, 2,6-bis(aminomethyl)- (6CI)
- 860382-50-9
- N1-(2,3-Diaminopropyl)propane-1,2,3-triamine
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- Inchi: 1S/C6H19N5/c7-1-5(9)3-11-4-6(10)2-8/h5-6,11H,1-4,7-10H2
- InChI Key: BKLGOOWBBNKITK-UHFFFAOYSA-N
- SMILES: N(CC(CN)N)CC(CN)N
Computed Properties
- Exact Mass: 161.16404563g/mol
- Monoisotopic Mass: 161.16404563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 77
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3.8
- Topological Polar Surface Area: 116?2
1,2,3-Propanetriamine,N1-(2,3-diaminopropyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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