CAS No.156-86-5,Homoarginine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	156-86-5
Name:	Homoarginine
Article Data:	11

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