CAS No.3160-91-6,Moroxydine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3160-91-6
Name:	Moroxydine hydrochloride
Article Data:	10

Formula:	C₆H₁₃N₅O^.HCl
Molecular Weight:	207.663
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;
EINECS:	221-612-6
Melting Point:	211-214 °C(lit.)
Boiling Point:	327 °C at 760 mmHg
Flash Point:	151.6 °C
Appearance:	white crystalline powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-37/39
PSA:	98.22000
LogP:	0.76700

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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)	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.