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| CAS No.: | 155-84-0 |
|---|---|
| Name: | N-ALPHA-ACETYL-L-ARGININE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H16N4O3 |
| Molecular Weight: | 216.24 |
| Synonyms: | Arginine,N2-acetyl-, L- (6CI,7CI,8CI);N-Acetyl-L-arginine;N2-Acetyl-L-arginine;N2-Acetylarginine;Na-Acetyl-L-arginine;Na-Acetylarginine;a-N-Acetyl-L-arginine;Ac-Arg-OH·2H2O; |
| EINECS: | 205-846-6 |
| Density: | 1.392 g/cm3 |
| Melting Point: | 215 °C |
| PSA: | 128.30000 |
| LogP: | 0.42080 |
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Specification
The L-Arginine, N2-acetyl-, with the CAS registry number 155-84-0, is also known as N-Acetyl-L-arginine. It belongs to the product categories of Amino Acids; A - H; Amino Acids; Modified Amino Acids. Its EINECS registry number is 205-846-6. This chemical's molecular formula is C8H16N4O3 and molecular weight is 216.24. What's more, its IUPAC name is called (2S)-2-Acetamido-5-(diaminomethylideneamino)pentanoic acid.
Physical properties about L-Arginine, N2-acetyl- are: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 128.3 Å2; (10)Index of Refraction: 1.58; (11)Molar Refractivity: 51.72 cm3; (12)Molar Volume: 155.385 cm3; (13)Surface Tension: 56.79 dyne/cm; (14)Density: 1.392 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
(2) InChI: InChI=1/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
(3) InChIKey: SNEIUMQYRCDYCH-LURJTMIEBE