111Category: | Pharmaceuticals and Biochemicals/Vitamin, amino acids and coenzymes |
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CAS NO: | 3081-62-7 | ||
EC NO: | |||
Molecular Formula: | C6H12N2O3 | ||
Molecular Weight: | 160.1711 | ||
Specification: | |||
InChI: | InChI=1/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1 | ||
Packing: | 25kg/drum | ||
Product description: 【Density】 1.211g/cm3 【Boiling Point】 427.5°Cat760mmHg 【Refractive Index】 1.494 【Flash Point】 212.4°C 【Computed Properties】 Molecular Weight:160.17108 [g/mol] Molecular Formula:C6H12N2O3 XLogP3-AA:-3.6 H-Bond Donor:3 H-Bond Acceptor:4 Rotatable Bond Count:5 Tautomer Count:3 Exact Mass:160.084792 MonoIsotopic Mass:160.084792 Topological Polar Surface Area:92.4 Heavy Atom Count:11 Formal Charge:0 Complexity:158 Isotope Atom Count:0 Defined Atom Stereocenter Count:1 Undefined Atom Stereocenter Count:0 Defined Bond Stereocenter Count:0 Undefined Bond Stereocenter Count:0 Covalently-Bonded Unit Count:1 Feature 3D Acceptor Count:3 Feature 3D Donor Count:2 Feature 3D Anion Count:1 Feature 3D Cation Count:1 Effective Rotor Count:5 Conformer Sampling RMSD:0.6 CID Conformer Count:74 |
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Synonyms: | Gamma-Glutamylmethylamide; | ||
Molecular Structure: |