Cas no 3199-33-5 (2H-Isoindole-2-propanamine,1,3-dihydro-N,N-dimethyl-, hydrochloride (1:2))
3199-33-5 structure
Product Name:2H-Isoindole-2-propanamine,1,3-dihydro-N,N-dimethyl-, hydrochloride (1:2)
CAS No:3199-33-5
MF:C13H21ClN2
MW:240.772242307663
CID:322337
PubChem ID:54609174
Update Time:2025-04-19
2H-Isoindole-2-propanamine,1,3-dihydro-N,N-dimethyl-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Isoindole-2-propanamine,1,3-dihydro-N,N-dimethyl-, hydrochloride (1:2)
- 3-(1,3-dihydroisoindol-2-yl)-N,N-dimethylpropan-1-amine,hydrochloride
- 2-(3-Dimethylamino-propyl)-isoindolin, Dihydrochlorid
- 2-(3-dimethylamino-propyl)-isoindoline, dihydrochloride
- NSC45122
- 3-(1,3-Dihydro-2H-isoindol-2-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
- NSC-45122
- DTXSID20714834
- 3199-33-5
-
- Inchi： 1S/C13H20N2.ClH/c1-14(2)8-5-9-15-10-12-6-3-4-7-13(12)11-15;/h3-4,6-7H,5,8-11H2,1-2H3;1H
- InChI Key： LKQIIYSUSNAUEJ-UHFFFAOYSA-N
- SMILES： Cl.N1(CCCN(C)C)CC2C=CC=CC=2C1
Computed Properties
- Exact Mass: 240.13900
- Monoisotopic Mass: 240.1393264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 177
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.5?2
Experimental Properties
- PSA: 6.48000
- LogP: 2.69380
2H-Isoindole-2-propanamine,1,3-dihydro-N,N-dimethyl-, hydrochloride (1:2) Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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