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| CAS No.: | 156-86-5 |
|---|---|
| Name: | Homoarginine |
| Molecular Structure: | |
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|
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| Formula: | C7H16N4O2 |
| Molecular Weight: | 188.23 |
| Synonyms: | Lysine,N6-(-amidino- (6CI);Lysine, N6-(-amidino-, L- (8CI);Homo-L-arginine;Homoarginine;L-Homoarginine;N6-(-(Aminoiminomethyl)-L-lysine;NSC 27429;NSC88868;H-HomoArg-OH;H-HoArg-OH; |
| EINECS: | 216-045-6 |
| Density: | 1.39 g/cm3 |
| Melting Point: | 207-209 °C |
| Boiling Point: | 414.1 °C at 760 mmHg |
| Flash Point: | 202.4 °C |
| Solubility: | soluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn, N, Xi
|
| Risk Codes: | R22; R36/37/38; R50/53 |
| PSA: | 125.22000 |
| LogP: | 0.94290 |
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Specification
The IUPAC name of L-Lysine,N6-(aminoiminomethyl)- is (2S)-2-amino-6-(diaminomethylideneamino)hexanoic acid. With the CAS registry number 156-86-5, it is also named as Homoarginine. The product's categories are Unusual Amino Acids; Amino Acids; Chiral Compound, and the other registry number is 13094-78-5. Besides, it is white crystalline powder, which should be stored at room temperature. In addition, its molecular formula is C7H16N4O2 and molecular weight is 188.23.
The other characteristics of L-Lysine,N6-(aminoiminomethyl)- can be summarized as: (1) ACD/LogP: -1.36; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): -4.86; (4) ACD/LogD (pH 7.4): -4.84; (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: 7; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 48.38 Å2; (13) Index of Refraction: 1.586; (14) Molar Refractivity: 45.3 cm3; (15) Molar Volume: 134.8 cm3; (16) Surface Tension: 61.1 dyne/cm; (17) Density: 1.39 g/cm3; (18) Flash Point: 202.4 °C; (19) Enthalpy of Vaporization: 106.11 kJ/mol; (20) Boiling Point: 414.1 °C at 760 mmHg; (21) Vapour Pressure: 5.13E-08 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1) SMILES: C(CCN=C(N)N)CC(C(=O)O)N
(2) InChI: InChI=1S/C7H16N4O2/c8-5(6(12)13)3-1-2-4-11-7(9)10/h5H,1-4,8H2,(H,12,13)(H4,9,10,11)
(3) InChIKey: QUOGESRFPZDMMT-UHFFFAOYSA-N