Cas no 76486-07-2 (4-(propan-2-yloxy)benzene-1,3-diamine dihydrochloride)
76486-07-2 structure
Product Name:4-(propan-2-yloxy)benzene-1,3-diamine dihydrochloride
CAS No:76486-07-2
MF:C9H16Cl2N2O
MW:239.142140388489
CID:1779876
PubChem ID:153690
Update Time:2025-04-21
4-(propan-2-yloxy)benzene-1,3-diamine dihydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 4-(propan-2-yloxy)benzene-1,3-diamine dihydrochloride
- 1,3-Benzenediamine, 4-(1-methylethoxy)-, dihydrochloride (9CI)
- 4-propan-2-yloxybenzene-1,3-diamine,dihydrochloride
- 2,4-Diaminoisopropoxybenzene dihydrochloride
- 1,3-Benzenediamine, 4-(1-methylethoxy)-, dihydrochloride
- 76486-07-2
- DTXSID50227285
- m-Phenylenediamine, 4-isopropoxy-, dihydrochloride
-
- Inchi： 1S/C9H14N2O.2ClH/c1-6(2)12-9-4-3-7(10)5-8(9)11;;/h3-6H,10-11H2,1-2H3;2*1H
- InChI Key： CZCGOZHUWNNQJY-UHFFFAOYSA-N
- SMILES： Cl.Cl.O(C1C=CC(=CC=1N)N)C(C)C
Computed Properties
- Exact Mass: 238.0639685g/mol
- Monoisotopic Mass: 238.0639685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 139
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.3?2
4-(propan-2-yloxy)benzene-1,3-diamine dihydrochloride Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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