Cas no 68909-31-9 (Propanenitrile, 3-(tridecylamino)-, branched)
68909-31-9 structure
Product Name:Propanenitrile, 3-(tridecylamino)-, branched
CAS No:68909-31-9
MF:C16H35N
MW:241.455805063248
CID:1735584
PubChem ID:111737
Update Time:2025-04-21
Propanenitrile, 3-(tridecylamino)-, branched Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 3-(tridecylamino)-, branched
- C13 Branched alkylaminoethylenenitrile
- 11-methyl-N-propyldodecan-1-amine
- NS00120863
- EINECS 272-700-6
- CVZRBKATNMXYIN-UHFFFAOYSA-N
- 68909-31-9
- DTXSID40988616
- SCHEMBL17780066
-
- Inchi： 1S/C16H35N/c1-4-14-17-15-12-10-8-6-5-7-9-11-13-16(2)3/h16-17H,4-15H2,1-3H3
- InChI Key： CVZRBKATNMXYIN-UHFFFAOYSA-N
- SMILES： N(CCC)CCCCCCCCCCC(C)C
Computed Properties
- Exact Mass: 241.27715
- Monoisotopic Mass: 241.276950121g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 13
- Complexity: 132
- 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: 6.5
- Topological Polar Surface Area: 12?2
Experimental Properties
- PSA: 12.03
Propanenitrile, 3-(tridecylamino)-, branched Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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