Cas no 33211-97-1 (Acetonitrile,2-(pentylamino)-)
Acetonitrile,2-(pentylamino)- structure
Product Name:Acetonitrile,2-(pentylamino)-
CAS No:33211-97-1
MF:C7H14N2
MW:126.199461460114
CID:313961
PubChem ID:193151
Update Time:2025-04-19
Acetonitrile,2-(pentylamino)- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile,2-(pentylamino)-
- 2-(pentylamino)acetonitrile
- (Pentylamino)acetonitrile
- Acetonitrile, (pentylamino)-
- BDBM50046766
- Pentylamino-acetonitrile
- DTXSID30186866
- SCHEMBL3625621
- CHEMBL139751
- 2-(n-Pentylamino)acetonitrile
- ACETONITRILE,(PENTYLAMINO)-
- 33211-97-1
- AKOS000251570
-
- Inchi： 1S/C7H14N2/c1-2-3-4-6-9-7-5-8/h9H,2-4,6-7H2,1H3
- InChI Key： UYSWGJRTNAKZIE-UHFFFAOYSA-N
- SMILES： N(CC#N)CCCCC
Computed Properties
- Exact Mass: 126.11582
- Monoisotopic Mass: 126.115698
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 90.3
- 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: 35.8
- XLogP3: 1.4
Experimental Properties
- Density: 0.862
- Boiling Point: 224°Cat760mmHg
- Flash Point: 89.3°C
- Refractive Index: 1.432
- PSA: 35.82
Acetonitrile,2-(pentylamino)- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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