Cas no 146843-06-3 (1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI))
146843-06-3 structure
Product Name:1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI)
CAS No:146843-06-3
MF:C9H10N2O
MW:162.188501834869
CID:100993
PubChem ID:21743763
Update Time:2025-04-18
1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI)
- 1,2-Benzenediamine,3-(2-propyn-1-yloxy)-
- 3-prop-2-ynoxybenzene-1,2-diamine
- 1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI)
- 146843-06-3
- SCHEMBL9670160
-
- Inchi： 1S/C9H10N2O/c1-2-6-12-8-5-3-4-7(10)9(8)11/h1,3-5H,6,10-11H2
- InChI Key： DBJAQMBBMAYNSM-UHFFFAOYSA-N
- SMILES： O(CC#C)C1C=CC=C(C=1N)N
Computed Properties
- Exact Mass: 162.0794
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 0.6
- Topological Polar Surface Area: 61.3?2
Experimental Properties
- PSA: 61.27
1,2-Benzenediamine, 3-(2-propynyloxy)- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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