Valine,N-acetyl-3-(nitrosothio)- supplier

Name
SNAP
EINECS
CAS No. 67776-06-1
Article Data2
CAS DataBase
Density 1.36 g/cm³
Solubility H₂O: ≥2 mg/mL
Melting Point 151oC
Formula C₇H₁₂N₂O₄S
Boiling Point
Molecular Weight 220.249
Flash Point
Transport Information
Appearance green crystalline solid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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);
PSA 121.13000
LogP 1.15980

Valine,N-acetyl-3-(nitrosothio)- 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

Product Name

SNAP

Valine,N-acetyl-3-(nitrosothio)- Specification

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