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| CAS No.: | 693-05-0 |
|---|---|
| Name: | 3-Methylaminopropionitrile |
| 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 |
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| 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% |
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3-methyl-2-oxo-1,3-oxazolidine
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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; |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 16750-50-8
3-(methylamino)propanamidoxime
| Conditions | Yield |
|---|---|
| With hydroxylamine In ethanol; water at 20 - 50℃; for 27h; | 99.5% |
| With hydroxylamine |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 97-00-7
1-chloro-2,4-dinitro-benzene
- 81676-70-2
2,4-dinitro-N-methyl-N-β-cyanoethylaniline
| Conditions | Yield |
|---|---|
| at 20℃; for 7h; | 99% |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 24424-99-5
di-tert-butyl dicarbonate
- 128304-84-7
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% |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 14223-45-1
p-tolyl isoselenocyanate
- 1332566-42-3
1-(2-cyanoethyl)-1-methyl-3-(4-tolyl)selenourea
| Conditions | Yield |
|---|---|
| With pyridine In toluene at 20℃; for 24h; Inert atmosphere; | 99% |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 246848-23-7
[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% |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 104-12-1
p-chlorphenylisocyanate
- 91090-02-7
3-(4-chlorophenyl)-1-(2-cyanoethyl)-1-methylurea
| Conditions | Yield |
|---|---|
| In benzene | 96% |
- 693-05-0
N-(2-cyanoethyl)-N-methylamine
- 49837-27-6
2,3-epoxy-2-methyl-1-phenylpropan-1-one
- 108440-19-3
2-Hydroxy-2-methyl-3--1-phenyl-1-propanone
| Conditions | Yield |
|---|---|
| In isopropyl alcohol for 15h; Heating; | 96% |
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Chemistry
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
Uses
3-Methylaminopropionitrile (CAS NO.693-05-0) can be used in organic synthesis.
Production
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.
Toxicity Data With Reference
| 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. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
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
,Xi
Xi
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
Specification
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 .