Cas no 647839-65-4 (Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)-)
- structure](https://ossimg.kuujia.com/scimg/648000/647839-65-4x500.png)
647839-65-4 structure
Product Name:Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)-
CAS No:647839-65-4
MF:C13H12ClN3
MW:245.707481384277
CID:416869
PubChem ID:71378745
Update Time:2025-04-19
Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)-
- 2-[(6-chloropyridin-3-yl)methyl]-2-(cyclopropylmethyl)propanedinitrile
- 647839-65-4
- [(6-Chloropyridin-3-yl)methyl](cyclopropylmethyl)propanedinitrile
- DTXSID70801349
-
- Inchi： 1S/C13H12ClN3/c14-12-4-3-11(7-17-12)6-13(8-15,9-16)5-10-1-2-10/h3-4,7,10H,1-2,5-6H2
- InChI Key： WSHJZCKXFOZQJQ-UHFFFAOYSA-N
- SMILES： ClC1=CC=C(C=N1)CC(C#N)(C#N)CC1CC1
Computed Properties
- Exact Mass: 245.07216
- Monoisotopic Mass: 245.0719751g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 355
- 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
- Topological Polar Surface Area: 60.5?2
Experimental Properties
- PSA: 60.47
Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)- Related Literature
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
647839-65-4 (Propanedinitrile, [(6-chloro-3-pyridinyl)methyl](cyclopropylmethyl)-) Related Products
- 110823-90-0(Pyridine,3-methyl-5-(2-methylpropyl)-)
- 6311-92-8(3-Hexylpyridine)
- 6443-85-2(3-Pyridineacetonitrile)
- 163359-11-3(3-Pyridineacetonitrile,a-methyl-)
- 104293-90-5(Pyridine,3-butyl-5-methyl-)
- 1802-34-2(Pyridine,3-(3-phenylpropyl)-)
- 539-32-2(3-Butylpyridine)
- 188918-72-1(3-Cyclopropylpyridine)
- 103037-27-0(3-Heptylpyridine)
- 14159-61-6(3-Isobutylpyridine)
Recommended suppliers
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
