Cas no 57583-92-3 (Butanimidic acid, methyl ester, hydrochloride)
57583-92-3 structure
Product Name:Butanimidic acid, methyl ester, hydrochloride
CAS No:57583-92-3
MF:C5H12ClNO
MW:137.607880592346
CID:335569
PubChem ID:12657464
Update Time:2025-04-19
Butanimidic acid, methyl ester, hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Butanimidic acid, methyl ester, hydrochloride
- methyl butanimidate,hydrochloride
- 57583-92-3
- SCHEMBL2637750
- methyl butyrimidate hydrochloride
- DTXSID10505915
- Methyl butanimidate--hydrogen chloride (1/1)
- JVQYUNBOIKCLKQ-UHFFFAOYSA-N
-
- Inchi： 1S/C5H11NO.ClH/c1-3-4-5(6)7-2;/h6H,3-4H2,1-2H3;1H
- InChI Key： JVQYUNBOIKCLKQ-UHFFFAOYSA-N
- SMILES： Cl.O(C)C(CCC)=N
Computed Properties
- Exact Mass: 137.0607417g/mol
- Monoisotopic Mass: 137.0607417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 61.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 33.1?2
Butanimidic acid, methyl ester, hydrochloride Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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