Cas no 25167-12-8 (Phenol, diamino-)
Phenol, diamino- structure
Product Name:Phenol, diamino-
CAS No:25167-12-8
MF:C6H8N2O
MW:124.1405210495
CID:1421581
PubChem ID:10197681
Update Time:2025-04-20
Phenol, diamino- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, diamino-
- 3,5-diaminophenol
- 25167-12-8
- EN300-2956805
- AKOS006342101
- SCHEMBL62693
- 626-46-0
- DTXSID90436591
- Phenol, 3,5-diamino-
-
- Inchi： 1S/C6H8N2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H,7-8H2
- InChI Key： WFNVGXBEWXBZPL-UHFFFAOYSA-N
- SMILES： OC1C=C(C=C(C=1)N)N
Computed Properties
- Exact Mass: 124.06374
- Monoisotopic Mass: 124.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 87.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 72.3?2
Experimental Properties
- PSA: 72.27
Phenol, diamino- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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