Cas no 23822-38-0 ( )
structure
Product Name:
CAS No:23822-38-0
MF:C7H8N4
MW:148.16522026062
CID:912784
PubChem ID:45080426
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-(aminomethyl)-2-methylpyrimidine-5-carbonitrile
- 23822-38-0
-
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- Inchi： 1S/C7H8N4/c1-5-10-4-6(2-8)7(3-9)11-5/h4H,3,9H2,1H3
- InChI Key： QLJLXHLRMSBUPB-UHFFFAOYSA-N
- SMILES： N1C(C)=NC=C(C#N)C=1CN
Computed Properties
- Exact Mass: 148.074896272g/mol
- Monoisotopic Mass: 148.074896272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 171
- 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: 75.6?2
Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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