Cas no 5327-01-5 (Propanenitrile,3-(nonyloxy)-)
Propanenitrile,3-(nonyloxy)- structure
Product Name:Propanenitrile,3-(nonyloxy)-
CAS No:5327-01-5
MF:C12H23NO
MW:197.317123651505
CID:387387
PubChem ID:220794
Update Time:2025-04-19
Propanenitrile,3-(nonyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-(nonyloxy)-
- AKOS009263119; Benzenamine, 3-(nonyloxy)-; ST51045564; AGN-PC-00Q3KW; CTK1F6081; 3-Nonyloxyanilin; 3-nonyloxy-propionitrile; 3-nonyloxyphenylamine;
- 3-(nonyloxy)propanenitrile
- 5327-01-5
- 68784-39-4
- NSC-4097
- NSC4097
- NS00062389
- DTXSID40874020
- EINECS 272-243-2
-
- Inchi： 1S/C12H23NO/c1-2-3-4-5-6-7-8-11-14-12-9-10-13/h2-9,11-12H2,1H3
- InChI Key： AZDYBNAAPZWEMG-UHFFFAOYSA-N
- SMILES： O(CCC#N)CCCCCCCCC
Computed Properties
- Exact Mass: 197.17809
- Monoisotopic Mass: 197.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 10
- Complexity: 148
- 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: 3.7
- Topological Polar Surface Area: 33?2
Experimental Properties
- Density: 0.871
- Boiling Point: 304.8°C at 760 mmHg
- Flash Point: 128.5°C
- Refractive Index: 1.436
- PSA: 33.02
Propanenitrile,3-(nonyloxy)- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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