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Ammonium carbamate

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Name

Ammonium carbamate

EINECS 214-185-2
CAS No. 1111-78-0 Density 1.6 g/cm3
PSA 66.56000 LogP 0.64730
Solubility Soluble in water, ethanol Melting Point 59-61°C (subl.)
Formula CH3NO2·H3N Boiling Point 251 °C at 760 mmHg
Molecular Weight 78.0708 Flash Point 105.6 °C
Transport Information N/A Appearance white crystalline solid
Safety 22-24/25 Risk Codes 22
Molecular Structure Molecular Structure of 1111-78-0 (Ammonium carbamate) Hazard Symbols HarmfulXn
Synonyms

Ammoniumcarbamate (6CI,7CI);Carbamic acid, monoammonium salt (8CI,9CI);Carbamic acid, ammoniumsalt (1:1);

Article Data 47

Ammonium carbamate Synthetic route

124-38-9

carbon dioxide

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With ammonia at 0℃; for 8h;90%
With ammonia
With ammonia; water; urea
14066-73-0

benzophenone semicarbazone

A

110-21-4

hydrazodicarboxamide

B

16240-68-9

1,5-dibenzhydrylidene-carbonohydrazide

C

1111-78-0

ammonium carbamate

D

983-79-9

benzophenone azine

Conditions
ConditionsYield
bei Erhitzen ueber den Schmelzpunkt;
Conditions
ConditionsYield
With alkaline potassium permanganate
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

A

4366-93-2

potassium carbamate

B

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With potassium ammonium Nebenproduktd wird entfernt durch Erwaermen im Vakuum auf 50grad;
15719-64-9, 15719-76-3, 97762-63-5

methylammonium carbonate

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With ammonia
With ammonia Waermetoenung;
With ethanol; ammonia at 100 - 110℃;
56-40-6

glycine

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With alkaline potassium permanganate
328-39-2

LEUCINE

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With alkaline potassium permanganate
1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With phosphate-EDTA-buffer; urea amidohydrolase EC 3.5.1.5 at 25℃; rates of urea amidohydrolase catalyzed hydrolysis; pH 7.0;
With water
124-38-9

carbon dioxide

A

50-00-0

formaldehyd

B

64-18-6

formic acid

C

463-77-4

carbamic Acid

D

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With ammonia; water at -258.15℃; bombardment with 1 MeV protons; Further byproducts given;
Fe(CO)5

Fe(CO)5

1111-78-0

ammonium carbamate

Conditions
ConditionsYield
With ammonia; water auch bei Sauerstoff-Ausschluss;

Ammonium carbamate Consensus Reports

Reported in EPA TSCA Inventory.

Ammonium carbamate Specification

Ammonium carbamate is an organic compound with the formula CH3NO2·H3N, and its systematic name is the same with the product name. With the CAS registry number 1111-78-0, it is also named as Carbamic acid, ammoniumsalt (1:1). It belongs to the product category of Industrial/Fine Chemicals. Its EINECS number is 214-185-2. In addition, the molecular weight is 78.07. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides, acids, alkali and water. This chemical will decompose slowly in the air and release ammonia, and it can slightly volatilize at room temperature and completely sublimate and decompose at the temperature of 50 °C. Moreover, it will turn into ammonium carbonate when placed in damp air or aqueous solution. When heated, it will produce urea. This chemical can be used as aluminum phosphide intermediate, and it is also used in medicine.

Physical properties of Ammonium carbamate are: (1)ACD/LogP: -1.194; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -3.73; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.54 Å2; (13)Flash Point: 105.6 °C; (14)Enthalpy of Vaporization: 53.77 kJ/mol; (15)Boiling Point: 251 °C at 760 mmHg; (16)Vapour Pressure: 0.00662 mmHg at 25°C.

Preparation: this chemical can be prepared by anhydrous liquid ammonia and drikold. Moreover, 400 mL liquid ammonia can produce 200-300 g Ammonium carbamate.

Uses of Ammonium carbamate: it can be used to produce trimethylsilyl carbamate at the temperature of 20 °C. It will need solvent CHCl3. The yield is about 73%.

Ammonium carbamate can be used to produce trimethylsilyl carbamate at the temperature of 20 °C

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. You should not breathe dust. When using it, you must avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)N.[NH4+]
(2)Std. InChI: InChI=1S/CH3NO2.H3N/c2-1(3)4;/h2H2,(H,3,4);1H3
(3)Std. InChIKey: BVCZEBOGSOYJJT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 77mg/kg (77mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD American Journal of Veterinary Research. Vol. 29, Pg. 897, 1968.
rat LD50 intravenous 39mg/kg (39mg/kg)   American Journal of Veterinary Research. Vol. 29, Pg. 897, 1968.
rat LD50 oral > 681mg/kg (681mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0535595,

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