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