Cas no 774213-86-4 (1H-1,2,4-Triazole-5-methanamine,a,3-dimethyl-, hydrochloride (1:2))
774213-86-4 structure
Product Name:1H-1,2,4-Triazole-5-methanamine,a,3-dimethyl-, hydrochloride (1:2)
CAS No:774213-86-4
MF:C5H12Cl2N4
MW:199.0815782547
CID:552396
PubChem ID:53398922
Update Time:2025-04-19
1H-1,2,4-Triazole-5-methanamine,a,3-dimethyl-, hydrochloride (1:2) Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,2,4-Triazole-5-methanamine,a,3-dimethyl-, hydrochloride (1:2)
- 3-(α-AMINOETHYL)-5-METHYL-4H-1,2,4-TRIAZOLEDIHYDROCHLORIDE
- 1-(5-Methyl-4H-1,2,4-triazol-3-yl)ethanamine dihydrochloride
- 1-(5-Methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine--hydrogen chloride (1/2)
- SCHEMBL5440691
- DTXSID70694531
- SB46773
- 1-(5-methyl-4h-1,2,4-triazol-3-yl)ethanamine 2hcl
- 1-(5-Methyl-4H-1,2,4-Triazol-3-Yl)Ethan-1-Amine Dihydrochloride
- 3-(alpha-AMINOETHYL)-5-METHYL-4H-1,2,4-TRIAZOLEDIHYDROCHLORIDE
- A898134
- 774213-86-4
- 1-(3-Methyl-1H-1,2,4-triazol-5-yl)ethanamine dihydrochloride
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- MDL： MFCD08689650
- Inchi： 1S/C5H10N4.2ClH/c1-3(6)5-7-4(2)8-9-5;;/h3H,6H2,1-2H3,(H,7,8,9);2*1H
- InChI Key： VUKQBFLHDHDODR-UHFFFAOYSA-N
- SMILES： Cl.Cl.N1=C(C)NN=C1C(C)N
Computed Properties
- Exact Mass: 198.04400
- Monoisotopic Mass: 198.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 95
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.6?2
Experimental Properties
- PSA: 67.59000
- LogP: 2.43710
1H-1,2,4-Triazole-5-methanamine,a,3-dimethyl-, hydrochloride (1:2) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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