Cas no 53860-66-5 (1,4-Butanediamine, N-dodecyl-)
1,4-Butanediamine, N-dodecyl- structure
Product Name:1,4-Butanediamine, N-dodecyl-
CAS No:53860-66-5
MF:C16H36N2
MW:256.47044467926
CID:1585815
PubChem ID:14325616
Update Time:2025-04-21
1,4-Butanediamine, N-dodecyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Butanediamine, N-dodecyl-
- N'-dodecylbutane-1,4-diamine
- CHEMBL5271084
- 53860-66-5
- N~1~-Dodecylbutane-1,4-diamine
- SCHEMBL445618
- DTXSID50558980
-
- Inchi： 1S/C16H36N2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17/h18H,2-17H2,1H3
- InChI Key： FNOMOLVTRWMYBZ-UHFFFAOYSA-N
- SMILES： N(CCCCN)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 256.28808
- Monoisotopic Mass: 256.287849157g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 15
- Complexity: 137
- 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: 5.6
- Topological Polar Surface Area: 38?2
Experimental Properties
- PSA: 38.05
1,4-Butanediamine, N-dodecyl- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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