Cas no 474956-76-8 (1H-Pyrazole-4-ethanamine,5-amino-1-methyl-,dihydrochloride(9CI))
474956-76-8 structure
Product Name:1H-Pyrazole-4-ethanamine,5-amino-1-methyl-,dihydrochloride(9CI)
CAS No:474956-76-8
MF:C6H14Cl2N4
MW:213.108158588409
CID:931066
PubChem ID:17961976
Update Time:2025-04-19
1H-Pyrazole-4-ethanamine,5-amino-1-methyl-,dihydrochloride(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-ethanamine,5-amino-1-methyl-,dihydrochloride(9CI)
- 474956-76-8
- 4-(2-Aminoethyl)-1-methyl-1H-pyrazol-5-amine dihydrochloride
- SCHEMBL5147536
- FLMLVYTUWIGWGM-UHFFFAOYSA-N
- 2-(5-amino-1-methylpyrazol-4-yl)ethylamine dihydrochloride
-
- Inchi： 1S/C6H12N4.2ClH/c1-10-6(8)5(2-3-7)4-9-10;;/h4H,2-3,7-8H2,1H3;2*1H
- InChI Key： FLMLVYTUWIGWGM-UHFFFAOYSA-N
- SMILES： Cl.Cl.N1(C)C(=C(C=N1)CCN)N
Computed Properties
- Exact Mass: 212.06000
- Monoisotopic Mass: 212.0595519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 106
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.9?2
Experimental Properties
- PSA: 69.86000
- LogP: 2.38900
1H-Pyrazole-4-ethanamine,5-amino-1-methyl-,dihydrochloride(9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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