Cas no 115423-85-3 (1,3-Benzenediamine, 4-methoxy-5-methyl-)
115423-85-3 structure
Product Name:1,3-Benzenediamine, 4-methoxy-5-methyl-
CAS No:115423-85-3
MF:C8H12N2O
MW:152.193681716919
CID:130768
PubChem ID:10154142
Update Time:2025-04-19
1,3-Benzenediamine, 4-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine, 4-methoxy-5-methyl-
- 4-Methoxy-5-methylbenzene-1,3-diamine
- 115423-85-3
- 1,3-Benzenediamine,4-methoxy-5-methyl-
- 1,3-Benzenediamine, 4-methoxy-5-methyl-
- SCHEMBL2025462
-
- Inchi： 1S/C8H12N2O/c1-5-3-6(9)4-7(10)8(5)11-2/h3-4H,9-10H2,1-2H3
- InChI Key： WERSDZKEJFOKJJ-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(=CC=1C)N)N
Computed Properties
- Exact Mass: 152.094963011g/mol
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 129
- 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: 0.9
- Topological Polar Surface Area: 61.3?2
1,3-Benzenediamine, 4-methoxy-5-methyl- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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