Cas no 74926-27-5 (1,11-Tridecanediamine,2,2,12-trimethyl-)
74926-27-5 structure
Product Name:1,11-Tridecanediamine,2,2,12-trimethyl-
CAS No:74926-27-5
MF:C16H36N2
MW:256.47044467926
CID:571238
PubChem ID:3018553
Update Time:2025-04-19
1,11-Tridecanediamine,2,2,12-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,11-Tridecanediamine,2,2,12-trimethyl-
- 2,2,12-Trimethyltridecane-1,11-diamine
- 1-isopropyl-10,10-dimethyl-1,11-diamino-undecane
- NLXRGHSNLCETNA-UHFFFAOYSA-N
- 1-isopropyl-10,10-dimethyl-1,11-diaminoundecane
- 74926-27-5
- SCHEMBL9809598
- DTXSID40996418
- EINECS 278-027-4
- NS00059106
-
- Inchi： 1S/C16H36N2/c1-14(2)15(18)11-9-7-5-6-8-10-12-16(3,4)13-17/h14-15H,5-13,17-18H2,1-4H3
- InChI Key： NLXRGHSNLCETNA-UHFFFAOYSA-N
- SMILES： NC(C(C)C)CCCCCCCCC(C)(C)CN
Computed Properties
- Exact Mass: 256.288
- Monoisotopic Mass: 256.288
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.7
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 0.852
- Boiling Point: 307.9°C at 760 mmHg
- Flash Point: 163.8°C
- Refractive Index: 1.464
1,11-Tridecanediamine,2,2,12-trimethyl- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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