Methyl malonate monoamide - CAS 51513-29-2
Catalog: |
BB027466 |
Product Name: |
Methyl malonate monoamide |
CAS: |
51513-29-2 |
Synonyms: |
methyl 3-amino-3-oxopropanoate |
IUPAC Name: | methyl 3-amino-3-oxopropanoate |
Description: | Methyl malonate monoamide (CAS# 51513-29-2) is a useful research chemical. |
Molecular Weight: | 117.10 |
Molecular Formula: | C4H7NO3 |
Canonical SMILES: | COC(=O)CC(=O)N |
InChI: | InChI=1S/C4H7NO3/c1-8-4(7)2-3(5)6/h2H2,1H3,(H2,5,6) |
InChI Key: | LSNSJCKGQREPDW-UHFFFAOYSA-N |
Boiling Point: | 263.7 °C at 760 mmHg |
Melting Point: | 39-44 °C |
Purity: | 95 % |
Density: | 1.184 g/cm3 |
Appearance: | White solid |
MDL: | MFCD00674533 |
LogP: | -0.26490 |
Publication Number | Title | Priority Date |
CN-112226052-A | High-barrier modified polyester and preparation method thereof | 20201014 |
JP-2021506868-A | Macrocyclic molecule as a PDE1 inhibitor | 20171220 |
JP-2021506775-A | Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine | 20171214 |
JP-2021506780-A | Combination therapy with administration of 1H-pyrazolo [4,3-B] pyridine | 20171214 |
WO-2019096677-A1 | Microbiological process for the preparation of amides | 20171114 |
PMID | Publication Date | Title | Journal |
18393543 | 20080508 | Tautomeric and conformational properties of malonamic acid methyl ester, NH2C(O)-CH2-C(O)OCH3: electron diffraction and quantum chemical study | The journal of physical chemistry. A |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.042593085 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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