Cas no 871720-97-7 (Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)-)
871720-97-7 structure
Product Name:Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)-
CAS No:871720-97-7
MF:C11H13N3
MW:187.241021871567
CID:1864823
PubChem ID:19627295
Update Time:2025-04-21
Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)-
- (4-(3-methyl-1H-pyrazol-1-yl)phenyl)methanamine
- AKOS000318716
- SCHEMBL8222456
- DA-01856
- 871720-97-7
-
- Inchi： 1S/C11H13N3/c1-9-6-7-14(13-9)11-4-2-10(8-12)3-5-11/h2-7H,8,12H2,1H3
- InChI Key： TWEIPWWFRGWHIA-UHFFFAOYSA-N
- SMILES： N1(C=CC(C)=N1)C1C=CC(CN)=CC=1
Computed Properties
- Exact Mass: 187.110947427Da
- Monoisotopic Mass: 187.110947427Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 175
- 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: 1.1
- Topological Polar Surface Area: 43.8?2
Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)- Related Literature
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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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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
871720-97-7 (Benzenemethanamine, 4-(3-methyl-1H-pyrazol-1-yl)-) Related Products
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