Dimethyl aminomalonate hydrochloride - CAS 16115-80-3
Catalog: |
BB011709 |
Product Name: |
Dimethyl aminomalonate hydrochloride |
CAS: |
16115-80-3 |
Synonyms: |
dimethyl 2-aminopropanedioate;hydrochloride |
IUPAC Name: | dimethyl 2-aminopropanedioate;hydrochloride |
Description: | Dimethyl aminomalonate hydrochloride (CAS# 16115-80-3) is a useful research chemical. |
Molecular Weight: | 183.59 |
Molecular Formula: | C5H10ClNO4 |
Canonical SMILES: | COC(=O)C(C(=O)OC)N.Cl |
InChI: | InChI=1S/C5H9NO4.ClH/c1-9-4(7)3(6)5(8)10-2;/h3H,6H2,1-2H3;1H |
InChI Key: | QWNDKNJSEWOEDM-UHFFFAOYSA-N |
Boiling Point: | 155.7 ℃ at 760 mmHg |
Melting Point: | 160 ℃ (dec.)(lit.) |
Purity: | 95 % |
Density: | 1.205 g/cm3 |
Appearance: | Light yellow crystals or crystalline powder |
MDL: | MFCD00038880 |
LogP: | 0.16200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021076629-A1 | Process of preparing (1r, 4r, 5s)-4-(2-chloroethyl)-1-((s)-((s)-cyclohex-2-en-1-yl)(hydroxy)methyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione(salinosporamide a; marizomib) | 20191014 |
WO-2020182666-A1 | Small molecule modulators of il-17 | 20190308 |
WO-2020127685-A1 | Amino-acid anilides as small molecule modulators of il-17 | 20181219 |
TW-202039473-A | Small molecule modulators of il-17 | 20181219 |
CN-113164448-A | Amino acid anilines as small molecule modulators of IL-17 | 20181219 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.0298355 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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