3-(Methylamino)propanenitrile
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3-(Methylamino)propanenitrile
structure -
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CAS No:
693-05-0
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Formula:
C4H8N2
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Chemical Name:
3-(Methylamino)propanenitrile
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Synonyms:
Propanenitrile,3-(methylamino)-;Propionitrile,3-(methylamino)-;3-(Methylamino)propanenitrile;β-(Methylamino)propionitrile;N-(β-Cyanoethyl)methylamine;3-(Methylamino)propionitrile;(2-Cyanoethyl)methylamine;N-Methyl-β-aminopropionitrile;N-Methyl-2-cyanoethylamine;N-Methyl-β-alaninenitrile;N-Methyl-N-(2-cyanoethyl)amine;3-(N-Methylamino)propionitrile;N-(2-Cyanoethyl)methylamine;Methyl(2-cyanoethyl)amine;NSC 8399;N-(2-Cyanoethyl)-N-methylamine;3-Methylaminopropiononitrile
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CAS No:
Characteristics
35.8
-0.5
Clear yellow Liquid
0.9±0.1 g/cm3
49-50 °C
101-104 °C @ Press: 49 Torr
>230 °F
1.412
Store below +30°C.
Safety Information
IRRITANT
NONH for all modes of transport
3
20/21-36/37/38
26-36/37-37/39
TZ4910000
Xn,Xi
P261-P280-P305 + P351 + P338
H312-H315-H319-H332-H335
|Warning|H312 (97.56%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(Methylamino)propanenitrile Use and Manufacturing
From the addition of acrylonitrile and methylamine. Add the methylamine-ethanol solution to the reaction pot, stir and cool to 5°C, add the acrylonitrile-ethanol solution dropwise, keep it at 10-20°C, and finish the addition in about 3 hours. After continuing the reaction below 15°C for 1 h, the ethanol was distilled off at atmospheric pressure, and then distilled under reduced pressure to collect 112-115 (13.3 kPa) fractions, that is, 3-methylaminopropionitrile.
Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.
Propanenitrile, 3-(methylamino)-: ACTIVE
Computed Properties
Molecular Weight:84.12
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:84.068748264
Monoisotopic Mass:84.068748264
Topological Polar Surface Area:35.8
Heavy Atom Count:6
Complexity:59.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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