CAS No.627-77-0,DL-CITRULLINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	627-77-0
Name:	DL-CITRULLINE
Article Data:	12

Formula:	C₆H₁₃N₃O₃
Molecular Weight:	175.188
Synonyms:	Citrulline,dl- (4CI);DL-Ornithine, N5-(aminocarbonyl)-;Ornithine, N5-carbamoyl-, DL-(8CI);(?à)-Citrulline;DL-Citrulline;NSC46711;Norvaline, 5-[(aminocarbonyl)amino]-;
EINECS:	211-012-2
Density:	1.289 g/cm³
Melting Point:	242-244 °C (dec.)
Boiling Point:	386.7 °C at 760 mmHg
Flash Point:	187.7 °C
Appearance:	white crystalline powder
Safety:	22-24/25
PSA:	118.44000
LogP:	0.63830

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Specification

The Ornithine,N⁵-(aminocarbonyl)- is an organic compound with the formula C₆H₁₃N₃O₃. The IUPAC name of this chemical is 2-amino-5-(carbamoylamino)pentanoic acid. With the CAS registry number 627-77-0, it is also named as 2-Amino-5-ureidovaleric acid. The product's categories are Amino Acids; Biochemistry; non-Proteinorganic Amino Acids. Besides, it should be stored in a closed cool and dry place. It is used for biochemical studies, and used to treat hyperammonemia with ornithine and arginine.

Physical properties about Ornithine,N⁵-(aminocarbonyl)- are: (1)ACD/LogP: -1.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.03; (4)ACD/LogD (pH 7.4): -4.03; (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: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 53.09 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 42.06 cm³; (15)Molar Volume: 135.8 cm³; (16)Polarizability: 16.67×10^-24cm³; (17)Surface Tension: 61.9 dyne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 187.7 °C; (20)Enthalpy of Vaporization: 69.78 kJ/mol; (21)Boiling Point: 386.7 °C at 760 mmHg; (22)Vapour Pressure: 4.7E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by DL-ornithine hydrochloride.

Uses of Ornithine,N⁵-(aminocarbonyl)-: it can be used to produce 2-oxo-3-(2,2,2-trifluoro-acetylamino)-piperidine-1-carboxylic acid amide and 1-[3-(5-oxo-2-trifluoromethyl-2,5-dihydro-oxazol-4-yl)-propyl]-3-trifluoroacetyl-urea by heating. The reaction time of 24 hours. The yield is about 48%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(N)CCCNC(=O)N
(2)InChI: InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
(3)InChIKey: RHGKLRLOHDJJDR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
(5)Std. InChIKey: RHGKLRLOHDJJDR-UHFFFAOYSA-N