Cas no 345913-72-6 (1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl-)
345913-72-6 structure
Product Name:1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl-
CAS No:345913-72-6
MF:C6H12N4
MW:140.186280250549
CID:302622
PubChem ID:12335817
Update Time:2025-04-19
1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl-
- 1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl-(9CI)
- 5-(Aminomethyl)-1,3-dimethyl-1H-pyrazol-4-amine
- 345913-72-6
- AKOS006365607
-
- Inchi： 1S/C6H12N4/c1-4-6(8)5(3-7)10(2)9-4/h3,7-8H2,1-2H3
- InChI Key： XGTQPLQQWZDPBF-UHFFFAOYSA-N
- SMILES： N1(C)C(CN)=C(C(C)=N1)N
Computed Properties
- Exact Mass: 140.10636
- Monoisotopic Mass: 140.106196400g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 116
- 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: 69.9?2
Experimental Properties
- PSA: 69.86
1H-Pyrazole-5-methanamine,4-amino-1,3-dimethyl- Related Literature
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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