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| CAS No.: | 744-46-7 |
|---|---|
| Name: | HIPPURYL-ARG |
| Molecular Structure: | |
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| Formula: | C15H21N5O4 |
| Molecular Weight: | 335.363 |
| 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; |
| EINECS: | 212-015-1 |
| Density: | 1.38 g/cm3 |
| Appearance: | WHITE TO OFF-WHITE POWDER |
| PSA: | 157.40000 |
| LogP: | 1.22180 |
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- Total:30 Page 1 of 1 1
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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