3-(Phenylamino)propanenitrile
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3-(Phenylamino)propanenitrile
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CAS No:
1075-76-9
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Formula:
C9H10N2
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Chemical Name:
3-(Phenylamino)propanenitrile
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Synonyms:
Propanenitrile,3-(phenylamino)-;Propionitrile,3-anilino-;3-(Phenylamino)propanenitrile;N-(β-Cyanoethyl)aniline;β-Anilinopropionitrile;3-Anilinopropionitrile;N-(2-Cyanoethyl)aniline;N-(Cyanoethyl)aniline;(β-Cyanoethyl)aniline;3-(Phenylamino)propionitrile;NSC 80663;3-(N-Phenylamino)propionitrile;3-Anilinopropanenitrile
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CAS No:
3-(Phenylamino)propanenitrile Basic Attributes
146.19
146.19
214-057-6
S4YM38H4U6
80663
DTXSID8051548
29269090
Characteristics
35.8
2.08518
yellow-beige powder.
0.9480 g/cm3 @ Temp: 20 °C
49 °C @ Solvent: Water, Ethanol
171 °C @ Press: 10 Torr
>230 °F
1.6210 (estimate)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00018mmHg at 25°C
Oral-rat LD50: 4700 mg/kg; Oral-Mouse LD50: 2560 mg/kg
Safety Information
IRRITANT
3
20/21/22-36/37/38-20/21
26-37/39-36/37
UG0770000
Xn
Treasury is ventilated, low temperature and dry; stored separately from food materials
Stable under normal temperatures and pressures.
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-(Phenylamino)propanenitrile Use and Manufacturing
Derived from the reaction of aniline and acrylonitrile.
Used as an intermediate in organic synthesis
Propanenitrile, 3-(phenylamino)-: ACTIVE
Computed Properties
Molecular Weight:146.19
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:146.084398327
Monoisotopic Mass:146.084398327
Topological Polar Surface Area:35.8
Heavy Atom Count:11
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes