Cas no 31719-16-1 (1,4-Butanediamine,N1,N4-bis(2-methylpropyl)-)
31719-16-1 structure
Product Name:1,4-Butanediamine,N1,N4-bis(2-methylpropyl)-
CAS No:31719-16-1
MF:C12H28N2
MW:200.364123344421
CID:312279
PubChem ID:35877
Update Time:2025-04-19
1,4-Butanediamine,N1,N4-bis(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine,N1,N4-bis(2-methylpropyl)-
- N',N'-bis(2-methylpropyl)butane-1,4-diamine
- BRN 1742848
- N~1~,N~4~-Bis(2-methylpropyl)butane-1,4-diamine
- Diisobutylputrescine
- 31719-16-1
- DTXSID00953663
- SCHEMBL9624660
- 1,4-BUTANEDIAMINE, N,N'-DIISOBUTYL-
- N,N'-Diisobutyl-1,4-butanediamine
-
- Inchi： 1S/C12H28N2/c1-11(2)9-13-7-5-6-8-14-10-12(3)4/h11-14H,5-10H2,1-4H3
- InChI Key： FUYYBRYQDMGVRX-UHFFFAOYSA-N
- SMILES： N(CC(C)C)CCCCNCC(C)C
Computed Properties
- Exact Mass: 200.22544
- Monoisotopic Mass: 200.225
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 9
- Complexity: 96.9
- 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
- Topological Polar Surface Area: 24.1A^2
- XLogP3: 2.7
Experimental Properties
- Density: 0.817
- Boiling Point: 253.5°Cat760mmHg
- Flash Point: 113.8°C
- Refractive Index: 1.441
- PSA: 24.06
1,4-Butanediamine,N1,N4-bis(2-methylpropyl)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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