Cas no 744195-35-5 (2-(1-benzylpiperidin-4-yl)propanedinitrile)
744195-35-5 structure
Product Name:2-(1-benzylpiperidin-4-yl)propanedinitrile
CAS No:744195-35-5
MF:C15H17N3
MW:239.315582990646
CID:2620845
PubChem ID:11107443
Update Time:2025-04-21
2-(1-benzylpiperidin-4-yl)propanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-benzylpiperidin-4-yl)propanedinitrile
- N-benzyl-piperidin-4-yl-malonitrile;
- 744195-35-5
- 2-(1-benzyl-4-piperidyl)propanedinitrile
- (1-Benzylpiperidin-4-yl)propanedinitrile
- A838119
- 2-[1-(phenylmethyl)-4-piperidinyl]propanedinitrile
- DTXSID70455482
-
- Inchi： 1S/C15H17N3/c16-10-15(11-17)14-6-8-18(9-7-14)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2
- InChI Key： FUGIBOLJEBBFHP-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)CCC(C(C#N)C#N)CC1
Computed Properties
- Exact Mass: 239.14200
- Monoisotopic Mass: 239.142247555Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 328
- 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: 2.2
- Topological Polar Surface Area: 50.8?2
Experimental Properties
- PSA: 50.82000
- LogP: 2.49986
2-(1-benzylpiperidin-4-yl)propanedinitrile Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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5. 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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