Homocitrulline supplier | CasNO.1190-49-4

Name
L-HOMOCITRULLINE
EINECS 214-722-0
CAS No. 1190-49-4
Density 1.242 g/cm³
Solubility
Melting Point 211-212℃ (decomposition)
Formula C₇H₁₅N₃O₃
Boiling Point 392.954 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 191.452 °C
Transport Information
Appearance
Safety
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Lysine,N⁶-carbamoyl- (6CI,7CI);Lysine, N⁶-carbamoyl-, L- (8CI);Homo-L-citrulline;Homocitrulline;L-Homocitrulline;N-e-Carbamyl-L-lysine;NSC 27428;
PSA 118.44000
LogP 1.02840

Homocitrulline Specification

The L-Lysine,N⁶-(aminocarbonyl)-, with the CAS registry number 1190-49-4, is also known as Acide 2-amino-6-(carbamoylamino)hexanoïque. It belongs to the product category of Chiral Compound. Its EINECS registry number is 214-722-0. This chemical's molecular formula is C₇H₁₅N₃O₃ and molecular weight is 189.21. What's more, its IUPAC name is (2S)-2-Amino-6-(carbamoylamino)hexanoic acid and systematic name is called N⁶-Carbamoyllysine.

Physical properties about L-Lysine,N⁶-(aminocarbonyl)- are: (1) ACD/LogP: -1.60; (2) # of Rule of 5 Violations: 1; (3) ACD/BCF (pH 5.5): 1; (4) ACD/BCF (pH 7.4): 1; (5) ACD/KOC (pH 5.5): 1; (6) ACD/KOC (pH 7.4): 1; (7) #H bond acceptors: 6; (8) #H bond donors: 6; (9) #Freely Rotating Bonds: 7; (10) Polar Surface Area: 53.09 Å²; (11) Index of Refraction: 1.525; (12) Molar Refractivity: 46.69 cm³; (13) Molar Volume: 152.3 cm³; (14) Surface Tension: 58.2 dyne/cm; (15) Density: 1.241 g/cm³; (16) Flash Point: 191.5 °C; (17) Enthalpy of Vaporization: 70.55 kJ/mol; (18) Boiling Point: 393 °C at 760 mmHg; (19) Vapour Pressure: 2.86E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CCCCNC(=O)N
(2) InChI: InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)
(3) InChIKey: XIGSAGMEBXLVJJ-UHFFFAOYAC

Product Name

L-HOMOCITRULLINE

Homocitrulline Specification

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