Cas no 6273-66-1 (3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride)
6273-66-1 structure
Product Name:3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CAS No:6273-66-1
MF:C16H18ClNO2
MW:291.772623538971
CID:957551
PubChem ID:54599192
Update Time:2025-04-19
3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine,hydrochloride
- 3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine
- hydrochloride
- NSC35636
- NSC-35636
- 3-(2H-1,3-Benzodioxol-5-yl)-1-phenylpropan-1-amine--hydrogen chloride (1/1)
- DTXSID00712671
- 6273-66-1
- 3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride
-
- Inchi： 1S/C16H17NO2.ClH/c17-14(13-4-2-1-3-5-13)8-6-12-7-9-15-16(10-12)19-11-18-15;/h1-5,7,9-10,14H,6,8,11,17H2;1H
- InChI Key： BVNKZNQXZBZIRX-UHFFFAOYSA-N
- SMILES： Cl.O1COC2=CC=C(C=C12)CCC(C1C=CC=CC=1)N
Computed Properties
- Exact Mass: 255.12601
- Monoisotopic Mass: 291.1026065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 278
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.5?2
Experimental Properties
- PSA: 44.48
- LogP: 4.55020
3-(1,3-benzodioxol-5-yl)-1-phenylpropan-1-amine;hydrochloride Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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