Cas no 1420975-49-0 ((1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanamine hydrochloride)
1420975-49-0 structure
Product Name:(1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanamine hydrochloride
CAS No:1420975-49-0
MF:C12H20ClN3
MW:241.760301589966
CID:2164244
Update Time:2023-08-05
(1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanamine hydrochloride Chemical and Physical Properties
Names and Identifiers
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- (1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanamine hydrochloride
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- Inchi： 1S/C12H19N3.ClH/c13-7-11-4-2-6-15(9-11)10-12-3-1-5-14-8-12;/h1,3,5,8,11H,2,4,6-7,9-10,13H2;1H
- InChI Key： WZLAVKRVGVJCNL-UHFFFAOYSA-N
- SMILES： Cl.N1(CC2C=NC=CC=2)CCCC(CN)C1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 184
- Topological Polar Surface Area: 42.2
(1-(Pyridin-3-ylmethyl)piperidin-3-yl)methanamine hydrochloride Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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