CAS No.4975-73-9,N,N'-Dicyclohexyl-4-morpholinecarboxamidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4975-73-9
Name:	N,N'-Dicyclohexyl-4-morpholinecarboxamidine
Article Data:	13

Formula:	C₁₇H₃₁N₃O
Molecular Weight:	293.453
Synonyms:	4-Morpholinecarboxamidine,N,N'-dicyclohexyl- (6CI,8CI);4-Morpholine-N,N'-dicyclohexylcarboxamidine;4-Morpholino-N,N'-dicyclohexylcarboxamidine;Morpholino-N,N'-dicyclohexylcarboxamidine;NSC 67197;U 18177;N,N'-Dicyclohexyl-4-morpholinecarboxamidine;
EINECS:	225-622-1
Density:	1.18 g/cm³
Melting Point:	105-107 °C(lit.)
Boiling Point:	423.2 °C at 760 mmHg
Flash Point:	209.7 °C
Appearance:	White crystals crystalline powder.
PSA:	36.86000
LogP:	3.25840

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1.Introduction of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

The 4-Morpholinecarboximidamide,N,N'-dicyclohexyl- is an organic compound with the formula C₁₇H₃₁N₃O. The IUPAC name of this chemical is N,N'-dicyclohexylmorpholine-4-carboximidamide. With the CAS registry number 4975-73-9 and EINECS 225-622-1, it is also named as Formamidine, N,N'-dicyclohexyl-1-morpholino-. The product's categories are Biochemistry; Nucleosides, Nucleotides & Related Reagents; Phosphorylating and Phosphorothioating Agents; Protecting Agents, Phosphorylating Agents & Condensing Agents; Building Blocks; Heterocyclic Building Blocks; Morpholines. In addition, this chemical should be sealed in the container and stored in the cool and dry place which must be away from strong oxidant.

2.The properties of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

(1)ACD/LogP: 2.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.99; (4)ACD/LogD (pH 7.4): 0.99; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 1.1; (7)ACD/KOC (pH 5.5): 10.03; (8)ACD/KOC (pH 7.4): 10.1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 28.07 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 84.69 cm³; (15)Molar Volume: 247.4 cm³; (16)Polarizability: 33.57×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 209.7 °C; (20)Enthalpy of Vaporization: 67.75 kJ/mol; (21)Boiling Point: 423.2 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-07 mmHg at 25°C.

3.Structure descriptors of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

1. SMILES:N(=C(\N1CCOCC1)NC2CCCCC2)\C3CCCCC3
2. InChI:InChI=1/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
3. InChIKey:OZNYZQOTXQSUJM-UHFFFAOYAN
4. Std. InChI:InChI=1S/C17H31N3O/c1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16/h15-16H,1-14H2,(H,18,19)
5. Std. InChIKey:OZNYZQOTXQSUJM-UHFFFAOYSA-N

4.The toxicity data of N,N'-Dicyclohexyl-4-morpholinecarboxamidine

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	20mg/kg (20mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07096,