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

Name
SNAP
EINECS
CAS No. 79032-48-7
Article Data7
CAS DataBase
Density 1.36 g/cm³
Solubility Soluble in DMSO or methanol; slightly soluble in water.
Melting Point 150-151 ºC
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 N-Acetyl-S-nitroso-D-penicillamine;S-Nitroso-N-acetylpenicillamine;N-Acetyl-3-(nitrososulfanyl)-D-valine;N-Acetyl-S-nitrosopenicillamine;
PSA 121.13000
LogP 1.15980

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

The D-Valine,N-acetyl-3-(nitrosothio)-, with the CAS registry number 79032-48-7, is also known as S-Nitroso-N-acetylpenicillamine. It belongs to the product categories of Nitric Oxide Reagents; Nitric Oxide. This chemical's molecular formula is C₇H₁₂N₂O₄S and molecular weight is 220.25. What's more, its systematic name is N-acetyl-3-(nitrososulfanyl)-D-valine. Its classification codes are: (1)Cardiovascular Agents; (2)Enzyme inhibitors; (3)Nitric Oxide Donors; (4)Vasodilator agents.

Physical properties of D-Valine,N-acetyl-3-(nitrosothio)- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.73; (4)ACD/LogD (pH 7.4): -2.58; (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: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 101.34 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 52.1 cm³; (15)Molar Volume: 161.1 cm³; (16)Polarizability: 20.65×10^-24cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.36 g/cm³.

When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N[C@@H](C(=O)O)C(SN=O)(C)C)C
(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)/t5-/m0/s1
(3)InChIKey: ZIIQCSMRQKCOCT-YFKPBYRVSA-N

Product Name

SNAP

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

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