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Moroxydine hydrochloride

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Name

Moroxydine hydrochloride

EINECS 221-612-6
CAS No. 3160-91-6 Density N/A
PSA 98.22000 LogP 0.76700
Solubility N/A Melting Point 211-214 °C(lit.)
Formula C6H13N5O.HCl Boiling Point 327 °C at 760 mmHg
Molecular Weight 207.663 Flash Point 151.6 °C
Transport Information N/A Appearance white crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3160-91-6 (Moroxydine hydrochloride) Hazard Symbols IrritantXi
Synonyms

4-Morpholinecarboxamidine,N-amidino-, monohydrochloride (8CI);4-Morpholinecarboximidamide,N-(aminoiminomethyl)-, monohydrochloride (9CI);Guanidine,4-morpholinecarboximidoyl-, hydrochloride (6CI);4-(Amidinoamidino)morpholinehydrochloride;ABOB hydrochloride;Flumidin;Malinguchlorate;Miejunging;Morpholinobiguanide hydrochloride;Morpholinobiguanide monohydrochloride;N1,N1-Anhydrobis(b-hydroxyethyl)biguanidehydrochloride;Spenitol;Virusmin;Virustat;

Article Data 10

Moroxydine hydrochloride Specification

The Guanidine,N-(amino-4-morpholinylmethyl)-, hydrochloride (1:1), with the CAS registry number 3160-91-6 and EINECS registry number 221-612-6, has the systematic name of N-(diaminomethylidene)morpholine-4-carboximidamide hydrochloride (1:1). And the molecular formula of the chemical is C6H13N5O.HCl.

The characteristics of Guanidine,N-(amino-4-morpholinylmethyl)-, hydrochloride (1:1) are as followings: (1)ACD/LogP: -2.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.6; (4)ACD/LogD (pH 7.4): -4.5; (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: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1 ; (12) Polar Surface Area: 43.67 Å2; (13)Flash Point: 151.6 °C; (14)Enthalpy of Vaporization: 56.93 kJ/mol; (15)Boiling Point: 327 °C at 760 mmHg; (16)Vapour Pressure: 0.000207 mmHg at 25°C.  

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.N(=C(\N)N)\C(=[N@H])N1CCOCC1
(2)InChI: InChI=1/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H
(3)InChIKey: FXYZDFSNBBOHTA-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intramuscular 600mg/kg (600mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
guinea pig LD50 intraperitoneal 600mg/kg (600mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
mouse LD50 intramuscular 1400mg/kg (1400mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
mouse LD50 intraperitoneal 1750mg/kg (1750mg/kg)   Journal of Antibiotics, Series A. Vol. 18, Pg. 196, 1965.
mouse LD50 intravenous 325mg/kg (325mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
mouse LD50 oral > 6250mg/kg (6250mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.
mouse LD50 subcutaneous 2200mg/kg (2200mg/kg)   Toxicology and Applied Pharmacology. Vol. 2, Pg. 474, 1960.

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