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CAS No.: | 14486-03-4 |
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Name: | H-MET-GLY-OH |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H14N2O3S |
Molecular Weight: | 206.266 |
Synonyms: | Glycine,N-L-methionyl- (7CI,8CI);205: PN: WO2008142164 SEQID: 206 claimed protein;317: PN: WO2008077945 SEQID: 323 claimed protein;L-Methionylglycine;NSC 88865; |
EINECS: | 238-487-9 |
Density: | 1.267 g/cm3 |
Melting Point: | 212 ºC |
Boiling Point: | 487.4 ºC at 760 mmHg |
Flash Point: | 248.6 ºC |
Solubility: | Soluble in 80% acetic acid (10 mg/ml - clear, colorless solution) |
Appearance: | White to off white powder |
PSA: | 117.72000 |
LogP: | 0.35880 |
The Glycine, L-methionyl-, with the CAS registry number 14486-03-4, has the IUPAC name of 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetic acid. Its product categories are including Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides.
The characteristics of this chemical are as follows: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (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: 5; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 82.91; (11)Index of Refraction: 1.541; (12)Molar Refractivity: 51.15 cm3; (13)Molar Volume: 162.6 cm3; (14)Polarizability: 20.28 ×10-24 cm3; (15)Surface Tension: 54.7 dyne/cm; (16)Density: 1.267 g/cm3; (17)Flash Point: 248.6 °C; (18)Enthalpy of Vaporization: 82.5 kJ/mol; (19)Boiling Point: 487.4 °C at 760 mmHg; (20)Vapour Pressure: 7.78E-11 mmHg at 25°C; (21)Exact Mass: 206.072513; (22)MonoIsotopic Mass: 206.072513; (23)Topological Polar Surface Area: 118; (24)Heavy Atom Count: 13; (25)Complexity: 187.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CSCCC(C(=O)NCC(=O)O)N
(2)InChI: InChI=1S/C7H14N2O3S/c1-13-3-2-5(8)7(12)9-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,
12)(H,10,11)
(3)InChIKey: QXOHLNCNYLGICT-UHFFFAOYSA-N