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60-35-5

Basic Information
CAS No.: 60-35-5
Name: Acetamide
Molecular Structure:
Molecular Structure of 60-35-5 (Acetamide)
Formula: C2H5NO
Molecular Weight: 59.07
Synonyms: Aceticacid amide;Acetimidic acid;Ethanamide;Ethanimidic acid;Methanecarboxamide;NSC 25945;
EINECS: 200-473-5
Density: 0.947 g/cm3
Melting Point: 78-80 °C(lit.)
Boiling Point: 221.1 °C at 760 mmHg
Flash Point: 90.1 °C
Solubility: 2000 g/L (20 °C) in water
Appearance: colourless deliquescent crystals
Hazard Symbols: HarmfulXn
Risk Codes: 40
Safety: 36/37
Transport Information: UN 3077 9/PG 3
PSA: 43.09000
LogP: 0.19190
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    Acetamide

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    Acetamide

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Specification

The IUPAC name of this chemical is acetamide. With the CAS registry number 60-35-5 and EINECS 200-473-5, it is also named as Acetic acid amide. The product's categories are Pharmaceutical Intermediates; Acetamide. It is colourless deliquescent crystals which is soluble in liquid ammonia, aliphatic amines, water, alcohol, pyridine, chloroform, glycerol, hot benzene, methyl ethyl ketone, butanol, benzyl alcohol, cyclohexanone, isoamyl alcohol, slightly soluble in benzene, insoluble in ether. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be well-ventilated, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.08; (8)ACD/KOC (pH 7.4): 5.08; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.392; (14)Molar Refractivity: 14.87 cm3; (15)Molar Volume: 62.3 cm3; (16)Surface Tension: 29.9 dyne/cm; (17)Enthalpy of Vaporization: 45.76 kJ/mol; (18)Vapour Pressure: 0.109 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 59.037114; (21)MonoIsotopic Mass: 59.037114; (22)Topological Polar Surface Area: 43.1; (23)Heavy Atom Count: 4; (24)Complexity: 33.

Preparation of Acetamide: In laboratory, it can be obtained by dehydration of ammonium acetate: CH3COONH4 → CH3CONH2 + H2O. It is also typically produced by hydrolysis of acetonitrile in industry: CH3CN + H2O → CH3C(O)NH2.

Uses of Acetamide: It is used as plasticizer, stabilizing agent, analytical reagent and industrial solvent. It is also used in organic synthesis, pharmacy industry and dye preparation. Besides, it can react with propionyl chloride to get acetyl-propionyl-amine. This reaction needs reagent pyridine by heating. The reaction time is 1 hours. The yield is 72%.

When you are using this chemical, please be cautious about it as the following:
It has limited evidence of a carcinogenic effect. If you want to contact this product, you must wear suitable protective clothing and gloves.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(N)C
2. InChI:InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
3. InChIKey:DLFVBJFMPXGRIB-UHFFFAOYAC

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LDLo intravenous 33410mg/kg (33410mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1242, 1970.
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979.
mouse LD50 intravenous 10gm/kg (10000mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64(1), Pg. 42S, 1968.
mouse LD50 oral 12900mg/kg (12900mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64(1), Pg. 42S, 1968.
mouse LD50 subcutaneous 8300mg/kg (8300mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

CARDIAC: CHANGE IN RATE

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 451, 1970.
rabbit LD50 intravenous 7500mg/kg (7500mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64(1), Pg. 42S, 1968.
rat LD50 intraperitoneal 10300mg/kg (10300mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 1242, 1970.
rat LD50 intravenous 12500mg/kg (12500mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 64(1), Pg. 42S, 1968.
rat LD50 oral 7gm/kg (7000mg/kg)   Journal of Reproduction and Fertility. Vol. 4, Pg. 219, 1962.
rat LD50 subcutaneous 10gm/kg (10000mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

CARDIAC: CHANGE IN RATE
Oyo Yakuri. Pharmacometrics. Vol. 4, Pg. 451, 1970.
rat LD50 unreported 2300mg/kg (2300mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 18, Pg. 645, 1968.