Cas no 105829-37-6 (1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]-)
![1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]- structure](https://ossimg.kuujia.com/scimg/106000/105829-37-6x500.png)
105829-37-6 structure
Product Name:1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]-
CAS No:105829-37-6
MF:C7H13N3O
MW:155.197621107101
CID:126863
PubChem ID:14009874
Update Time:2025-04-18
1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]-
- 1,2-Ethanediamine,N-[(3-methyl-5-isoxazolyl)methyl]-(9CI)
- N1-((3-methylisoxazol-5-yl)methyl)ethane-1,2-diamine
- N-(3-methyl-5-isoxazolylmethyl)ethylenediamine
- SCHEMBL7992705
- N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
- AIWQYGFZDJCCIN-UHFFFAOYSA-N
- 105829-37-6
-
- Inchi： 1S/C7H13N3O/c1-6-4-7(11-10-6)5-9-3-2-8/h4,9H,2-3,5,8H2,1H3
- InChI Key： AIWQYGFZDJCCIN-UHFFFAOYSA-N
- SMILES： O1C(=CC(C)=N1)CNCCN
Computed Properties
- Exact Mass: 155.105862047g/mol
- Monoisotopic Mass: 155.105862047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 110
- 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: -0.8
- Topological Polar Surface Area: 64.1?2
Experimental Properties
- PSA: 64.08000
- LogP: 1.12250
1,2-Ethanediamine,N1-[(3-methyl-5-isoxazolyl)methyl]- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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