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CAS No.: | 693-05-0 |
---|---|
Name: | 3-Methylaminopropionitrile |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C4H8N2 |
Molecular Weight: | 84.1209 |
Synonyms: | Propionitrile,3-(methylamino)- (6CI,7CI,8CI);(2-Cyanoethyl)methylamine;3-(Methylamino)propanenitrile;3-(Methylamino)propionitrile;3-(N-Methylamino)propionitrile;3-Methylaminopropiononitrile;N-(2-Cyanoethyl)-N-methylamine;N-(2-Cyanoethyl)methylamine;N-(b-Cyanoethyl)methylamine;N-Methyl-2-cyanoethylamine;N-Methyl-N-(2-cyanoethyl)amine;N-Methyl-b-alaninenitrile;N-Methyl-b-aminopropionitrile;NSC 8399;b-(Methylamino)propionitrile; |
EINECS: | 211-740-0 |
Density: | 0.869 g/cm3 |
Melting Point: | -21oC |
Boiling Point: | 180.7 °C at 760 mmHg |
Flash Point: | 63.1 °C |
Appearance: | clear yellow liquid |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 20/21-36/37/38 |
Safety: | 26-36/37-37/39 |
PSA: | 35.82000 |
LogP: | 0.51038 |
Conditions | Yield |
---|---|
With C12H18NO3S(1+)*HO4S(1-) at 25℃; for 0.0666667h; Ionic liquid; Neat (no solvent); chemoselective reaction; | 99% |
In methanol a) 0 deg C, 1 h, b) RT, overnight; | 84% |
In ethanol at 15℃; under 760.051 Torr; | 83.5% |
3-methyl-2-oxo-1,3-oxazolidine
N-(2-cyanoethyl)-N-methylamine
Conditions | Yield |
---|---|
With potassium cyanide; 18-crown-6 ether at 100℃; for 8h; Neat (no solvent); | 50% |
Conditions | Yield |
---|---|
unter Kuehlung; | |
unter Kuehlung; |
N-(2-cyanoethyl)-N-methylamine
3-(methylamino)propanamidoxime
Conditions | Yield |
---|---|
With hydroxylamine In ethanol; water at 20 - 50℃; for 27h; | 99.5% |
With hydroxylamine |
N-(2-cyanoethyl)-N-methylamine
1-chloro-2,4-dinitro-benzene
2,4-dinitro-N-methyl-N-β-cyanoethylaniline
Conditions | Yield |
---|---|
at 20℃; for 7h; | 99% |
N-(2-cyanoethyl)-N-methylamine
di-tert-butyl dicarbonate
t-butyl N-(2-cyanoethyl)-N-methylcarbamate
Conditions | Yield |
---|---|
In dichloromethane | 99% |
In dichloromethane at 20℃; for 2h; | 90% |
In dichloromethane at 20℃; for 2h; | 90% |
N-(2-cyanoethyl)-N-methylamine
p-tolyl isoselenocyanate
1-(2-cyanoethyl)-1-methyl-3-(4-tolyl)selenourea
Conditions | Yield |
---|---|
With pyridine In toluene at 20℃; for 24h; Inert atmosphere; | 99% |
N-(2-cyanoethyl)-N-methylamine
[4S-[4α,5β,6β(S*)]]-4-methyl-3-[[[(2-methylpropoxy)carbonyl]oxy]methyl]-7-oxo-6-[1-[(triethylsilyl)oxy]ethyl]-1-azabicyclo[3.2.0]hepten-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester
Conditions | Yield |
---|---|
With 1,4-di(diphenylphosphino)-butane; tris(dibenzylideneacetone)dipalladium(0) chloroform complex In N,N-dimethyl-formamide at 20℃; for 12 - 36h; | 98% |
N-(2-cyanoethyl)-N-methylamine
p-chlorphenylisocyanate
3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
Conditions | Yield |
---|---|
In benzene | 96% |
N-(2-cyanoethyl)-N-methylamine
2,3-epoxy-2-methyl-1-phenylpropan-1-one
2-Hydroxy-2-methyl-3--1-phenyl-1-propanone
Conditions | Yield |
---|---|
In isopropyl alcohol for 15h; Heating; | 96% |
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Product Name: 3-Methylaminopropionitrile (CAS NO.693-05-0)
Molecular Formula: C4H8N2
Molar mass: 84.11972 g/mol
Density: 0.869 g/cm3
Flash Point: 63.1 °C
Boiling Point: 180.7 °C at 760 mmHg
Index of Refraction: 1.412
Vapour Pressure: 0.883 mmHg at 25°C
Surface Tension: 30.5 dyne/cm
Enthalpy of Vaporization: 41.7 kJ/mol
Index of Refraction: 1.412 Molar Refractivity: 24.08 cm3
Molar Volume: 96.7 cm3
XLogP3-AA: -0.5
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of 3-Methylaminopropionitrile (CAS NO.693-05-0):
IUPAC Name: 3-(methylamino)propanenitrile
Canonical SMILES: CNCCC#N
InChI: InChI=1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N
Product Categories: Industrial/Fine Chemicals
3-Methylaminopropionitrile (CAS NO.693-05-0) can be used in organic synthesis.
Derived by the addition from acrylonitrile and methylamine . Add the methylamine - ethanol solution into the reaction pot,then stirring cooled to 5°C;maintaining 10-20°C, dropping acrylonitrile - ethanol solution about 3h end. At 15°C below to continue to respond 1h, atmospheric pressure steam to the ethanol, then vacuum distillation, collecting 112-115 (13.3kPa) fractions.
1. | orl-rat LD50:3500 mg/kg | ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. 19 (1969),225. | ||
2. | ipr-mus LD50:1400 mg/kg | ZAARAM Zentralblatt fuer Arbeitsmedizin und Arbeitsschutz. 19 (1969),225. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx.
Safety Information of 3-Methylaminopropionitrile (CAS NO.693-05-0):
Hazard Codes: Xn,XiXi
Risk Statements: 20/21-36/37/38
R20/21:Harmful by inhalation and in contact with skin.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37:Wear suitable protective clothing and gloves.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
RTECS: TZ4910000
HazardClass: IRRITANT
HS Code: 29269095
3-Methylaminopropionitrile , its CAS NO. is 693-05-0, the synonyms are (2-Cyanoethyl)methyl amine ; 3-(Methylamino)propionitrile ; Propanenitrile, 3-(methylamino)- ; eta-Methylaminopropionitril ; N-(2-Cyanoethyl)methylamine ; (Methylamino)propionitrile ; 3-(n-methylamino)propionitrile .