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| CAS No.: | 67776-06-1 |
|---|---|
| Name: | SNAP |
| Article Data: | 2 |
| Molecular Structure: | |
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|
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| Formula: | C7H12N2O4S |
| Molecular Weight: | 220.249 |
| Synonyms: | DL-Valine,N-acetyl-3-(nitrosothio)-;N-Acetyl-S-nitroso-DL-penicillamine;N-Acetyl-S-nitrosopenicillamine;S-Nitroso-N-acetyl-DL-penicillamine;S-Nitrosoacetylpenicillamine;SNAP;SNAP (amino acid); |
| Density: | 1.36 g/cm3 |
| Melting Point: | 151oC |
| Solubility: | H2O: ≥2 mg/mL |
| Appearance: | green crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 121.13000 |
| LogP: | 1.15980 |
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- Total:22 Page 1 of 1 1
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Specification
The Valine,N-acetyl-3-(nitrosothio)-, with the CAS registry number 67776-06-1, is also known as S-Nitroso-N-acetyl-DL-penicillamine. It belongs to the product category of Signalling. This chemical's molecular formula is C7H12N2O4S and molecular weight is 220.25. Its IUPAC name is called 2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid. This chemical is green crystalline solid. The product should be sealed and stored in cool and dry place.
Physical properties of Valine,N-acetyl-3-(nitrosothio)-: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): -1.73; (3)ACD/LogD (pH 7.4): -2.58; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 52.1 cm3; (13)Molar Volume: 161.1 cm3; (14)Surface Tension: 50 dyne/cm; (15)Density: 1.36 g/cm3.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(C(=O)O)C(C)(C)SN=O
(2)InChI: InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)
(3)InChIKey: ZIIQCSMRQKCOCT-UHFFFAOYSA-N