ChemicalBook--->CAS DataBase List--->693-05-0

693-05-0

693-05-0 Structure

693-05-0 Structure
IdentificationMore
[Name]

3-Methylaminopropionitrile
[CAS]

693-05-0
[Synonyms]

3-METHYLAMINOPROPIONITRILE
BETA-METHYLAMINOPROPIONITRILE
N-METHYL-B-ALANINENITRILE
N-METHYL-BETA-ALANINENITRILE
(2-Cyanoethyl)methyl amine
(2-cyanoethyl)methylamine
(Methylamino)propionitrile
3-(methylamino)-propanenitril
3-(Methylamino)propanenitrile
3-(methylamino)-propionitril
3-(n-methylamino)propionitrile
ai3-26057
beta-methylaminopropionitril
n-(2-cyanoethyl)methylamine
n-(beta-cyanoethyl)methylamine
N-beta-Cyanoethylmethylamine
N-Methyl-beta-aminopropionitrile
Propionitrile, 3-(methylamino)-
3-(Methyl
n-methyl-β-alaninenitrile
[EINECS(EC#)]

211-740-0
[Molecular Formula]

C4H8N2
[MDL Number]

MFCD00001954
[Molecular Weight]

84.12
[MOL File]

693-05-0.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR YELLOW LIQUID
[Melting point ]

49-50 °C
[Boiling point ]

182-186 °C
[density ]

0.899 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.432(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Chloroform, Methanol
[form ]

Liquid
[pka]

8.27±0.10(Predicted)
[color ]

Clear yellow
[BRN ]

1699160
[InChI]

1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
[InChIKey]

UNIJBMUBHBAUET-UHFFFAOYSA-N
[SMILES]

CNCCC#N
[CAS DataBase Reference]

693-05-0(CAS DataBase Reference)
[NIST Chemistry Reference]

Propanenitrile, 3-(methylamino)-(693-05-0)
[EPA Substance Registry System]

693-05-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[TSCA ]

TSCA listed
[HazardClass ]

IRRITANT
[HS Code ]

29269095
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

ACETALDEHYDE AMMONIA-->Acrylonitrile-->Methylamine
[Preparation Products]

Disperse Red 9-->Propanimidamide, N-hydroxy-3-(methylamino)--->N-(2-cyanoethyl)-N-methylbenzamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Methylaminopropionitrile(693-05-0).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR YELLOW LIQUID
[Uses]

(3-MethylaMinopropionitrile) Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.
[Synthesis]

Acrylonitrile

107-13-1

Methylamine

74-89-5

3-Methylaminopropionitrile

693-05-0

Below 15 °C, 160.8 g (3.0 mol, 99% purity) of 2-acrylonitrile was slowly added dropwise to 345.1 g (3.0 mol, 27% concentration) of monomethylamine solution while maintaining stirring. Upon completion of the reaction, the ethanol generated was removed by distillation at atmospheric pressure. The product was subsequently collected by vacuum distillation to give 210.6 g of 3-methylaminopropionitrile in 83.5% yield.

[References]

[1] Kinetics and Catalysis, 2010, vol. 51, # 5, p. 653 - 656
[2] Journal of Heterocyclic Chemistry, 1997, vol. 34, # 1, p. 87 - 91
[3] Patent: CN106632280, 2017, A. Location in patent: Paragraph 0023; 0024; 0025
[4] Patent: CN108003141, 2018, A. Location in patent: Paragraph 0032; 0035
[5] Liebigs Annalen der Chemie, 1980, # 9, p. 1438 - 1447
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylaminopropionitrile(693-05-0)1HNMR
3-Methylaminopropionitrile(693-05-0)IR1
3-Methylaminopropionitrile(693-05-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-Methyl-beta-alaninenitrile, 98%(693-05-0)
[Sigma Aldrich]

693-05-0(sigmaaldrich)
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