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113-00-8

Basic Information
CAS No.: 113-00-8
Name: Aminomethanamidine
Article Data: 131
Molecular Structure:
Molecular Structure of 113-00-8 (Aminomethanamidine)
Formula: CH5 N3
Molecular Weight: 59.0708
Synonyms: Aminoformamidine;Aminomethanamidine; Carbamamidine; Carbamidine; Guanidin; Imidourea; Iminourea
Density: 1.55g/cm3
Boiling Point: 132.9°Cat760mmHg
Flash Point: 34.2°C
Safety: Poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion. On heating to 160° it converts to melamine and NH3. Keep well closed. When heated to decomposition it emits toxic fumes of NOx.
PSA: 75.89000
LogP: 0.33890
Synthetic route
110-68-9

N-n-butyl-N-methylamine

113-00-8

guanidine nitrate

Conditions
ConditionsYield
With diisopropyl-carbodiimide100%
With dicyclohexyl-carbodiimide99.7%
109-73-9

N-butylamine

113-00-8

guanidine nitrate

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide99%
With diisopropyl-carbodiimide96.7%
62-53-3

aniline

693-13-0

diisopropyl-carbodiimide

113-00-8

guanidine nitrate

Conditions
ConditionsYield
With C36H44N12Sn4 at 60℃; for 0.5h; Temperature; Time; Inert atmosphere; Schlenk technique;98.9%

ammonium chloride

113-00-8

guanidine nitrate

Conditions
ConditionsYield
180-200°C; 30 min;88%

ammonium bromide

113-00-8

guanidine nitrate

Conditions
ConditionsYield
180-200°C; 30 min;87%

ammonium iodide

113-00-8

guanidine nitrate

Conditions
ConditionsYield
180-200°C; 30 min;83%
10581-07-4

N-cyclohexyl-N',N'-pentamethylenediylurea

13360-63-9

N-ethylbutylamine

113-00-8

guanidine nitrate

Conditions
ConditionsYield
With trichlorophosphate In water; toluene81%
7664-41-7

ammonia

113-00-8

guanidine nitrate

Conditions
ConditionsYield
With sulfur dioxide at molar ratio of urea:SO2:NH3 = 1:3:7; 245-265°C; in autoclave;80%
With aluminum(III) sulfate; ammonium chloride In ammonia High Pressure; 300°C; 30 min; urea : NH4Cl : Al2(SO4)3 = 1:1:0.33; 140 atm;72%
With aluminum(III) sulfate; ammonium chloride In ammonia High Pressure; 300°C; 30 min; urea : NH4Cl : Al2(SO4)3 = 1:1:0.33; 70 atm;68%
420-04-2

CYANAMID

1484-26-0

3-(benzyloxy)aniline

A

113-00-8

guanidine nitrate

B

205935-12-2

N-(3-Benzyloxy-phenyl)-guanidine

Conditions
ConditionsYield
In waterA n/a
B 80%
113-00-8

guanidine nitrate

Conditions
ConditionsYield
With ammonia; potassium at 50℃; for 72h; Autoclave;78%
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Chemistry

Structure of Guanidine (CAS NO.113-00-8):

Molecular Formula: CH5N3
Molar mass: 59.07 g/mol
EINECS: 204-021-8
Density: 1.55 g/cm3
Flash Point: 34.2 °C
Index of Refraction: 1.595
Boiling Point: 132.9 °C at 760 mmHg
Vapour Pressure: 8.67 mmHg at 25°C
Appearance: Colorless crystals
Solubility: Easily soluble in water and alcohol
Product categories: Pharmaceutical Intermediates
XLogP3-AA: -1.3
H-Bond Donor: 3
H-Bond Acceptor: 3
IUPAC Name: Guanidine
Canonical SMILES: C(=N)(N)N
InChI: InChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4) 
InChIKey: ZRALSGWEFCBTJO-UHFFFAOYSA-N

Uses

 Guanidine (CAS NO.113-00-8) is used in the manufacture of plastics and explosives and as intermediate in organic synthesis. Is mainly used for manufacture of sulfa drugs and dyes. Because of free guanidine difficult to be separated, so general merchandise is its salts, such as Guanidine hydrochloride , Guanidine nitrate , Guanidine carbonate , Guanidine sulfate .

Production

 Guanidine (CAS NO.113-00-8) can be pbtained  from the role of Calcium and Ammonium iodide or the reaction of Urea and Ammonia under pressurized.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 3gm/kg (3000mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1352, 1935.
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Bulletin of Experimental Biology and Medicine Vol. 61, Pg. 291, 1966.
mouse LDLo subcutaneous 266mg/kg (266mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1352, 1935.
rabbit LDLo oral 500mg/kg (500mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 718, 1989.
rat LDLo subcutaneous 150mg/kg (150mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1352, 1935.

Safety Profile

Poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion. On heating to 160° it converts to melamine and NH3. Keep well closed. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Guanidine (CAS NO.113-00-8) is a crystalline compound of strong alkalinity, and also can be called Carbamamidine ; Iminourea ; Guanidinium sulfate ; Bisguanidinium sulfate and Aminoformamidine . There is deliquescence, and it is easy to absorb carbon dioxide from the air tobe strongly alkaline. When heated to 160 °C, it will be decomposed into Melamine and Ammonia .