Cas no 59734-58-6 (BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE)
59734-58-6 structure
Product Name:BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE
CAS No:59734-58-6
MF:C11H18ClNO2
MW:231.719122409821
CID:3374546
PubChem ID:5336434
Update Time:2025-04-21
BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE Chemical and Physical Properties
Names and Identifiers
-
- BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE
- Cambridge id 5705544
- AC1NSMIK
- 3,4-Dimethoxybenzenepropanamine hydrochloride
- DTXSID70416614
- 5705-54-4
- 59734-58-6
- 3-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
-
- Inchi： 1S/C11H17NO2.ClH/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2;/h5-6,8H,3-4,7,12H2,1-2H3;1H
- InChI Key： OTMANLIKOBIDOQ-UHFFFAOYSA-N
- SMILES： Cl.O(C)C1=C(C=CC(=C1)CCCN)OC
Computed Properties
- Exact Mass: 231.1026065Da
- Monoisotopic Mass: 231.1026065Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 152
- 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: 44.5?2
BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE Related Literature
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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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
59734-58-6 (BENZENEPROPANAMINE, 3,4-DIMETHOXY-, HYDROCHLORIDE) Related Products
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