Cas no 57957-09-2 (1,3-Propanediamine, N-(2-methylpropyl)-)
57957-09-2 structure
Product Name:1,3-Propanediamine, N-(2-methylpropyl)-
CAS No:57957-09-2
MF:C7H18N2
MW:130.231221675873
CID:343656
PubChem ID:21402718
Update Time:2025-04-19
1,3-Propanediamine, N-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediamine, N-(2-methylpropyl)-
- N'-(2-methylpropyl)propane-1,3-diamine
- 1,3-propanediamine, N< sup> 1<
- LogP
- N-Isobutylpropane-1,3-diamine
- sup> -(2-methylpropyl)-
- 57957-09-2
- N~1~-(2-Methylpropyl)propane-1,3-diamine
- DTXSID00613154
- SCHEMBL10151329
-
- Inchi: 1S/C7H18N2/c1-7(2)6-9-5-3-4-8/h7,9H,3-6,8H2,1-2H3
- InChI Key: MBUAMOKJRSMXKM-UHFFFAOYSA-N
- SMILES: N(CCCN)CC(C)C
Computed Properties
- Exact Mass: 130.14714
- Monoisotopic Mass: 130.146998583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 52.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 38?2
Experimental Properties
- PSA: 38.05
1,3-Propanediamine, N-(2-methylpropyl)- Related Literature
-
Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
57957-09-2 (1,3-Propanediamine, N-(2-methylpropyl)-) Related Products
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