Methyl hydrazinocarboxylate - CAS 6294-89-9
Catalog: |
BB031897 |
Product Name: |
Methyl hydrazinocarboxylate |
CAS: |
6294-89-9 |
Synonyms: |
methyl N-aminocarbamate |
IUPAC Name: | methyl N-aminocarbamate |
Description: | Hydrazine derivative. |
Molecular Weight: | 90.08 |
Molecular Formula: | C2H6N2O2 |
Canonical SMILES: | COC(=O)NN |
InChI: | InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5) |
InChI Key: | WFJRIDQGVSJLLH-UHFFFAOYSA-N |
Boiling Point: | 108 °C (12 mmHg) |
Melting Point: | 68-73 °C |
Purity: | 95 % |
Density: | 1.161 g/cm3 |
Appearance: | White to pink crystalline platelets |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007594 |
LogP: | 0.30730 |
GHS Hazard Statement: | H301 (55.68%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (52.27%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22090996 | 20110801 | (E)-Methyl N'-[(1H-indol-3-yl)methyl-idene]hydrazinecarboxyl-ate 0.25-hydrate | Acta crystallographica. Section E, Structure reports online |
22091053 | 20110801 | (E)-Methyl N'-(2,4,5-trimeth-oxy-benzyl-idene)hydrazinecarboxyl-ate | Acta crystallographica. Section E, Structure reports online |
21522775 | 20101211 | Methyl 3-(2-furyl-methyl-idene)carbazate | Acta crystallographica. Section E, Structure reports online |
21589359 | 20101106 | Methyl 3-[(E)-(2-hy-droxy-1-naphth-yl)methyl-idene]carbazate | Acta crystallographica. Section E, Structure reports online |
21588736 | 20100828 | (E)-Methyl 3-(3,5-dibromo-2-hy-droxy-benzyl-idene)carbazate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 53.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 90.04292743799999 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 90.04292743799999 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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