CAS No.372-75-8,L(+)-Citrulline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	372-75-8
Name:	L(+)-Citrulline
Article Data:	48

Formula:	C₆H₁₃N₃O₃
Molecular Weight:	175.188
Synonyms:	L-Citrullin;L-Cit-OH;L-Citrulline;N5-(Aminocarbonyl)ornithine;L-Citrulline (Fermentation);H-Cit-OH;.delta.-Ureidonorvaline;2-Amino-5-uredovaleric acid;Ngamma-carbamylornithine;delta-Ureidonorvaline;N~5~-(aminocarbonyl)ornithine;2-amino-5-(carbamoylamino)pentanoic acid;L-Citrulline;(2S)-2-amino-5-(carbamoylamino)pentanoic acid;Ornithine, N5-carbamoyl-, L- (8CI);L-Ornithine, N5-(aminocarbonyl)-;Ornithine, N5-(aminocarbonyl)-;Citrulline, L-;Ornithine, N5-carbamoyl-, L-;Citrulline;L-Ornithine,N5-(aminocarbonyl)-;.alpha.-Amino-.delta.-ureidovaleric acid;N5-(Aminocarbonyl)-L-ornithine;alpha-Amino-delta-ureidovaleric acid;N(.delta.)-Carbamylornithine;
EINECS:	206-759-6
Density:	1.289 g/cm³
Melting Point:	214 °C
Boiling Point:	386.7 °C at 760 mmHg
Flash Point:	187.7 °C
Solubility:	200 g/L (20 °C) in water
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	24/25-36-26
PSA:	118.44000
LogP:	0.63830

Synthetic route

: 74-79-3
L-arginine

: 372-75-8
Citrulline

Conditions

Conditions	Yield
for 46 - 120h; Product distribution / selectivity; Enzymatic reaction;	91%
With dihydrogen peroxide; K[Ru(Hedta)Cl]*2H2O	71%
durch Einwirkung von Faeulnisbakterien;

: 70-26-8
L-ornithine

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With carbamoyl phosphate

: 1188-38-1
L-carglumic acid

: 372-75-8
Citrulline

Conditions

Conditions	Yield
Biosynthese;

: 1119-34-2
L-arginine hydrochloride

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; phosphoric acid; water at 25 - 37℃; Thermodynamic data; ΔH; aginine deiminase (EC 3.5.3.6) from Pseudomonas putida; var. pH and ionic strength;

L-ornithine-monohydrochloride: L-ornithine-monohydrochloride

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With copper (II) carbonate hydroxide; water at 100℃; Durch Erhitzen des erhaeltlichen Komplexsalzes mit Harnstoff in wss. Loesung auf 100grad und Zerlegung des gebildeten Kupfer(II)-Komplexsalzes des L-Citrullins mit H2S in Wasser;

: 139461-37-3
Nω-allyl-L-arginine

A: 372-75-8
Citrulline

B: 107-02-8
acrolein

Conditions

Conditions	Yield
With NADPH; calcium chloride; calmodulin; neuronal nitric oxide synthase at 20℃; pH=7.5; Enzyme kinetics; Oxidation; Enzymatic reaction;

: Nω-allyl-Nω-hydroxy-L-arginine

A: 372-75-8
Citrulline

B: 107-02-8
acrolein

Conditions

Conditions	Yield
With NADPH; calcium chloride; calmodulin; neuronal nitric oxide synthase at 20℃; pH=7.5; Enzyme kinetics; Oxidation; Enzymatic reaction;

: 53054-07-2
L-NOHA

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With mammalian nitric oxide synthase; oxygen Enzyme kinetics;

: Nω-tert-butoxy-L-arginine

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With mammalian nitric oxide synthase; NADPH; diothiothreitol; tetrahydrobiopterin In various solvent(s) at 30℃; for 0.0333333h; Enzyme kinetics;

: Nω-O-(3-methyl-2-butenyl)hydroxy-L-arginine

: 372-75-8
Citrulline

Conditions

Conditions	Yield
With mammalian nitric oxide synthase; NADPH; diothiothreitol; tetrahydrobiopterin In various solvent(s) at 30℃; for 0.0333333h; Enzyme kinetics;

Raw Materials

74-79-3

70-26-8

57-13-6

Downstream Products

74-79-3

147-85-3

52717-00-7

45234-13-7

609-36-9

70-26-8

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Specification

1. Introduction of L(+)-Citrulline

L(+)-Citrulline (372-75-8), with its IUPAC name of (2S)-2-amino-5-(carbamoylamino)pentanoic acid, is one kind of white powder. The product's categories are Citruline [Cit]; Amino Acids; Unusual Amino Acids; Biochemistry; non-Proteinorganic Amino Acids; Nutritional Supplements; L-Amino Acids; Amino Acids. Besides, it should be sealed in a cool and dry place at 0-5 °C.

2. Properties of L(+)-Citrulline

The other characteristics of L(+)-Citrulline can be summarized as: (1)EINECS: 206-759-6; (2)ACD/LogP: -1.53; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): -4.03; (5)ACD/LogD (pH 7.4): -4.03; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 6; (11)#H bond donors: 6; (12)#Freely Rotating Bonds: 6; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 42.06 cm³; (15)Molar Volume: 135.8 cm³; (16)Surface Tension: 61.9 dyne/cm; (17)Density: 1.289 g/cm³; (18)Flash Point: 187.7 °C; (19)Melting Point: 214-216 °C; (20)alpha: 25.5 °(c=8, 6N HCl); (21)Water solubility: 200 g/L (20 °C); (22)Enthalpy of Vaporization: 69.78 kJ/mol; (23)Boiling Point: 386.7 °C at 760 mmHg; (24)Vapour Pressure: 4.7E-07 mmHg at 25 °C.

3. Structure Descriptors of L(+)-Citrulline

You could convert the following datas into the molecular structure:
(1)SMILES: O=C(O)[C@@H](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)/t4-/m0/s1
(3)InChIKey: RHGKLRLOHDJJDR-BYPYZUCNBX

4. Uses of L-Citrulline

L-Citrulline is amino acids drug used for the treatment of hyperammonemia. Moreover, it can react with trifluoroacetic acid anhydride to get 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.

This reaction will occur by heating for 24 hours. The yield is 48 %.

5. Safety information of L(+)-Citrulline

Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 24/25-36-26
WGK Germany 3
HS Code 29241900

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing to avoid contact with skin and eyes.

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