Cas no 63082-93-9 (1,4-Benzenediamine, monobenzoate)
63082-93-9 structure
Product Name:1,4-Benzenediamine, monobenzoate
CAS No:63082-93-9
MF:C13H14N2O2
MW:230.262463092804
CID:427229
PubChem ID:23039147
Update Time:2025-04-19
1,4-Benzenediamine, monobenzoate Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediamine, monobenzoate
- benzene-1,4-diamine,benzoic acid
- 1,4-benzenediamine, benzoate (1:1)
- Benzene-1,4-diamine benzoate (1:1)
- LogP
- Benzoic acid--benzene-1,4-diamine (1/1)
- DTXSID60629978
- 63082-93-9
-
- Inchi： 1S/C7H6O2.C6H8N2/c8-7(9)6-4-2-1-3-5-6;7-5-1-2-6(8)4-3-5/h1-5H,(H,8,9);1-4H,7-8H2
- InChI Key： MZSPBJICJZWZAL-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1)=O.NC1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 230.10562
- Monoisotopic Mass: 230.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 158
- 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: 89.3?2
Experimental Properties
- PSA: 89.34
1,4-Benzenediamine, monobenzoate Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
63082-93-9 (1,4-Benzenediamine, monobenzoate) Related Products
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- 2305-37-5(3-Amino-5-methylbenzoic acid)
- 116668-47-4(6-aminonaphthalene-2-carboxylic acid)
- 619-05-6(3,4-Diaminobenzoic acid)
- 150-13-0(sunbrella)
- 2486-70-6(4-Amino-3-methylbenzoic acid)
- 535-87-5(3,5-Diaminobenzoic acid)
- 99-05-8(3-Aminobenzoic acid)
- 99-31-0(5-Aminoisophthalic acid)
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