Cas no 213212-89-6 (1,3-Benzenediamine,5-isocyanato-(9CI))
213212-89-6 structure
Product Name:1,3-Benzenediamine,5-isocyanato-(9CI)
CAS No:213212-89-6
MF:C7H7N3O
MW:149.149980783463
CID:242526
Update Time:2023-03-30
1,3-Benzenediamine,5-isocyanato-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediamine,5-isocyanato-
- 3,5-Diaminophenylisocyanate
- 1,3-Benzenediamine,5-isocyanato-(9CI)
- 1,3-Benzenediamine, 5-isocyanato-
-
- Inchi： 1S/C7H7N3O/c8-5-1-6(9)3-7(2-5)10-4-11/h1-3H,8-9H2
- InChI Key： LEVZYHDMRDPAAP-UHFFFAOYSA-N
- SMILES： C1(N)=CC(N=C=O)=CC(N)=C1
Computed Properties
- Exact Mass: 149.059
- Monoisotopic Mass: 149.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 167
- 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
- Topological Polar Surface Area: 81.5A^2
1,3-Benzenediamine,5-isocyanato-(9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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