D-Citrulline supplier | CasNO.13594-51-9

Name
H-D-CIT-OH
EINECS 211-012-2
CAS No. 13594-51-9
Article Data1
CAS DataBase
Density 1.289 g/cm³
Solubility
Melting Point 220-221 °C
Formula C₆H₁₃N₃O₃
Boiling Point 386.694 °C at 760 mmHg
Molecular Weight 175.19
Flash Point 187.666 °C
Transport Information
Appearance White powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ornithine,N⁵-carbamoyl-, D- (8CI);NSC 206276;(R)-2-Amino-5-ureidopentanoic acid;
PSA 118.44000
LogP 0.63830

D-Citrulline Specification

The D-Citrulline, with the CAS registry number 13594-51-9, is also known as (R)-2-Amino-5-ureidopentanoic acid. It belongs to the product category of Amino Acid. This chemical's molecular formula is C₆H₁₃N₃O₃ and molecular weight is 175.19. What's more, its systematic name is N⁵-Carbamoyl-D-ornithine.

Physical properties of D-Citrulline are: (1)ACD/LogP: -1.526; (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): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 118.44 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 42.064 cm³; (15)Molar Volume: 135.869 cm³; (16)Polarizability: 16.676×10^-24cm³; (17)Surface Tension: 61.9 yne/cm; (18)Density: 1.289 g/cm³; (19)Flash Point: 187.666 °C; (20)Enthalpy of Vaporization: 69.782 kJ/mol; (21)Boiling Point: 386.694 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)CCCNC(=O)N
(2)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)/t4-/m1/s1
(3)Std. InChIKey: RHGKLRLOHDJJDR-SCSAIBSYSA-N

Product Name

H-D-CIT-OH

D-Citrulline Specification

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