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1-Methylguanidine hydrochloride

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Name

1-Methylguanidine hydrochloride

EINECS 245-147-3
CAS No. 21770-81-0 Density 1.22?g/mL?at 20?°C(lit.)
PSA 61.90000 LogP 1.09220
Solubility N/A Melting Point -20 °C
Formula C2H8ClN3 Boiling Point 95.9 °C at 760 mmHg
Molecular Weight 109.559 Flash Point 11.8 °C
Transport Information N/A Appearance crystalline
Safety 26-36/37 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 21770-81-0 (1-Methylguanidine hydrochloride) Hazard Symbols HarmfulXn
Synonyms

1-Methylguanidine hydrochloride (1:1);

Article Data 4

1-Methylguanidine hydrochloride Specification

The Guanidine, N-methyl-,hydrochloride (1:1), with the CAS registry number of 21770-81-0, is also known as 1-Methylguanidine hydrochloride (1:1). This chemical's molecular formula is C2H8ClN3 and molecular weight is 109.56. What's more, its IUPAC name is 2-Methylguanidine hydrochloride.

Physical properties about the Guanidine, N-methyl-,hydrochloride (1:1) are: (1)ACD/LogP: -1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.49; (4)ACD/LogD (pH 7.4): -3.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.6 Å2; (13)Flash Point: 11.8 °C; (14)Enthalpy of Vaporization: 33.55 kJ/mol; (15)Boiling Point: 95.9 °C at 760 mmHg; (16)Vapour Pressure: 44.5 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. It is harmful if swallowed. In addition, during using it, wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: [Cl-].[N@H]=C(N)[NH2+]C
(2) InChI: InChI=1/C2H7N3.ClH/c1-5-2(3)4;/h1H3,(H4,3,4,5);1H
(3) InChIKey: VJQCNCOGZPSOQZ-UHFFFAOYAR

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04013,
mouse LD50 oral 680mg/kg (680mg/kg)   Cesko-Slovenska Farmacie. Vol. 1, Pg. 434, 1952.
 
rat LDLo subcutaneous 375mg/kg (375mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 28, Pg. 251, 1926.

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