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Cas Database |
| Name |
Methyl N-cyanoethanimideate |
EINECS | N/A |
| CAS No. | 5652-84-6 | Density | 0.95 g/cm3 |
| PSA | 45.38000 | LogP | 0.53228 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C4H6N2O | Boiling Point | 107.7 °C at 760 mmHg |
| Molecular Weight | 98.1044 | Flash Point | 18.9 °C |
| Transport Information | N/A | Appearance | Colourless transparent liquid |
| Safety | Risk Codes | R34 | |
| Molecular Structure |
|
Hazard Symbols |
 C
|
| Synonyms |
Acetimidicacid, N-cyano-, methyl ester (7CI,8CI);Methyl N-cyanoacetamidate;MethylN-cyanoacetimidate;N-Cyanoethanimidic acid methyl ester; |
Article Data | 4 |
Methyl N-cyanoethanimideate Synthetic route
| Conditions | Yield |
|---|---|
| In methanol |
| Conditions | Yield |
|---|---|
| Irradiation; |
- 430-67-1
2,2-difluorethylamine
- 5652-84-6
methyl N-cyanoacetimidate
- 1003859-01-5
N'-cyano-N-(2,2-difluoroethyl)ethanimidamide
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 3h; | 98% |
| Conditions | Yield |
|---|---|
| Stage #1: 2-chloro-5-(chloromethyl)pyridine; methylamine In toluene at 3 - 25℃; for 6h; Large scale; Stage #2: methyl N-cyanoacetimidate With ethanol In toluene at 35℃; for 4h; Temperature; Large scale; | 93% |
- 5652-84-6
methyl N-cyanoacetimidate
- 100-63-0
phenylhydrazine
- 68557-26-6
3-methyl-1-phenyl-1H-1,2,4-triazol-5-amine
| Conditions | Yield |
|---|---|
| In methanol for 4h; Reflux; | 83% |
- 5652-84-6
methyl N-cyanoacetimidate
- 97004-04-1
5-(aminomethyl)-2-chloropyridine
- 135410-03-6, 190604-92-3
acetamiprid-N-desmethyl
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 3h; | 52% |
- 5652-84-6
methyl N-cyanoacetimidate
- 657411-85-3
4-methyl-6-(pyridin-2-yl)-1,3,5-triazin-2-amine
| Conditions | Yield |
|---|---|
| Stage #1: picolinamide hydrochloride With sodium methylate In methanol at 20℃; for 0.333333h; Stage #2: methyl N-cyanoacetimidate In methanol at 20℃; for 12h; | 50% |
- 5652-84-6
methyl N-cyanoacetimidate
- 1003859-15-1
N-[(6-chloropyridin-3-yl)methyl]-3-fluoropropane-1-amine
- 1003858-98-7
N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-(3-fluoropropyl)ethanimidamide
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 96h; | 8% |
- 151-18-8
2-cyanoethylamine
- 5652-84-6
methyl N-cyanoacetimidate
- 56563-05-4
N'-Cyano-N-(2-cyanoethyl)acetamidin
| Conditions | Yield |
|---|---|
| In isopropyl alcohol |
| Conditions | Yield |
|---|---|
| In isopropyl alcohol |
Methyl N-cyanoethanimideate Specification
The Methyl N-cyanoethanimideate, with the cas registry number 5652-84-6, has the systematic name of 1-methoxyethylidenecyanamide. And the molecular formula of the chemical is C4H6N2O.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.38 Å2; (9)Index of Refraction: 1.438; (10)Molar Refractivity: 26.96 cm3; (11)Molar Volume: 102.6 cm3; (12)Polarizability: 10.68×10-24cm3; (13)Surface Tension: 29.7 dyne/cm; (14)Density: 0.95 g/cm3; (15)Flash Point: 18.9 °C; (16)Enthalpy of Vaporization: 34.65 kJ/mol; (17)Boiling Point: 107.7 °C at 760 mmHg; (18)Vapour Pressure: 26.8 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C\C(=N\C#N)OC
(2)InChI: InChI=1/C4H6N2O/c1-4(7-2)6-3-5/h1-2H3
(3)InChIKey: LILTZUFNZDRURN-UHFFFAOYAU
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD50 | oral | 432mg/kg (432mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0570899, |
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