Product Name

  • Name

    HIPPURYL-ARG

  • EINECS 212-015-1
  • CAS No. 744-46-7
  • Density 1.38 g/cm3
  • Solubility
  • Melting Point
  • Formula C15H21N5O4
  • Boiling Point
  • Molecular Weight 335.363
  • Flash Point
  • Transport Information
  • Appearance WHITE TO OFF-WHITE POWDER
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 744-46-7 (HIPPURYL-ARG)
  • Hazard Symbols
  • Synonyms Arginine,N2-hippuroyl- (6CI,7CI);Arginine, N2-hippuroyl-, L- (8CI);L-Arginine,N2-(N-benzoylglycyl)-;N-Benzoylglycyl-L-arginine;N-a-Benzoylglycyl-L-arginine;N2-Hippuroyl-L-arginine;NSC 89637;
  • PSA 157.40000
  • LogP 1.22180

L-Arginine,N-benzoylglycyl- Specification

The L-Arginine,N-benzoylglycyl-, with the CAS registry number 744-46-7, is also known as Hippuryl-L-arginine. Its EINECS registry number is 212-015-1. This chemical's molecular formula is C15H21N5O4 and molecular weight is 335.35834. Its IUPAC name is called (2S)-2-[(2-benzamidoacetyl)amino]-5-(diaminomethylideneamino)pentanoic acid. What's more, the product should be sealed and stored at -20 °C.

Physical properties of L-Arginine,N-benzoylglycyl-: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.76; (4)ACD/LogD (pH 7.4): -2.77; (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: 9; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.623; (13)Molar Refractivity: 85.52 cm3; (14)Molar Volume: 242.3 cm3; (15)Surface Tension: 60.1 dyne/cm; (16)Density: 1.38 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)O
(2)Isomeric SMILES: C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
(3)InChI: InChI=1S/C15H21N5O4/c16-15(17)18-8-4-7-11(14(23)24)20-12(21)9-19-13(22)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,19,22)(H,20,21)(H,23,24)(H4,16,17,18)/t11-/m0/s1
(4)InChIKey: GFLCPYUSPYXNBV-NSHDSACASA-N

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