Cas no 1042152-58-8 ((3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride)
1042152-58-8 structure
Product Name:(3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride
CAS No:1042152-58-8
MF:C7H12ClN3O2
MW:205.642080307007
MDL:MFCD08456822
CID:4569306
Update Time:2023-04-06
(3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- (3-AMINO-PYRAZOL-1-YL)-ACETIC ACID ETHYL ESTER HYDROCHLORIDE
- ethyl (3-amino-1H-pyrazol-1-yl)acetate
- Ethyl 2-(3-amino-1H-pyrazol-1-yl)acetate hydrochloride
- (3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride
-
- MDL： MFCD08456822
- Inchi： 1S/C7H11N3O2.ClH/c1-2-12-7(11)5-10-4-3-6(8)9-10;/h3-4H,2,5H2,1H3,(H2,8,9);1H
- InChI Key： AXPCUNLVFHHMDU-UHFFFAOYSA-N
- SMILES： C(OCC)(=O)CN1C=CC(N)=N1.[H]Cl
Computed Properties
- Exact Mass: 205.062
- Monoisotopic Mass: 205.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 163
- 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: 70.1A^2
(3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride Pricemore >>
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(3-Aminopyrazol-1-yl)acetic acid ethyl ester hydrochloride Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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5. 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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