Cas no 17399-28-9 (Benzenamine,3-(3-phenoxypropoxy)-, hydrochloride (1:1))
17399-28-9 structure
Product Name:Benzenamine,3-(3-phenoxypropoxy)-, hydrochloride (1:1)
CAS No:17399-28-9
MF:C15H18ClNO2
MW:279.761923313141
CID:231537
PubChem ID:24196128
Update Time:2025-04-19
Benzenamine,3-(3-phenoxypropoxy)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,3-(3-phenoxypropoxy)-, hydrochloride (1:1)
- 3-(3-phenoxypropoxy)aniline,hydrochloride
- NSC211322
- NSC-211322
- NSC 211322
- 3-(3-phenoxypropoxy)aniline;hydrochloride
- A1-05117
- 17399-28-9
- Benzenamine, 3-(3-phenoxypropoxy)-, hydrochloride (1:1)
- DTXSID70638778
- CID 24196128
- 3-(3-Phenoxypropoxy)aniline--hydrogen chloride (1/1)
-
- Inchi： 1S/C15H17NO2.ClH/c16-13-6-4-9-15(12-13)18-11-5-10-17-14-7-2-1-3-8-14;/h1-4,6-9,12H,5,10-11,16H2;1H
- InChI Key： AQWCIMYRXXHZHB-UHFFFAOYSA-N
- SMILES： Cl.O(C1C=CC=C(C=1)N)CCCOC1C=CC=CC=1
Computed Properties
- Exact Mass: 243.12601
- Monoisotopic Mass: 279.1026065g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 217
- 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
Experimental Properties
- PSA: 44.48
- LogP: 4.49990
Benzenamine,3-(3-phenoxypropoxy)-, hydrochloride (1:1) 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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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