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79032-48-7

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Basic Information
CAS No.: 79032-48-7
Name: SNAP
Article Data: 7
Molecular Structure:
Molecular Structure of 79032-48-7 (SNAP)
Formula: C7H12N2O4S
Molecular Weight: 220.249
Synonyms: N-Acetyl-S-nitroso-D-penicillamine;S-Nitroso-N-acetylpenicillamine;N-Acetyl-3-(nitrososulfanyl)-D-valine;N-Acetyl-S-nitrosopenicillamine;
Density: 1.36 g/cm3
Melting Point: 150-151 ºC
Solubility: Soluble in DMSO or methanol; slightly soluble in water.
Appearance: green crystalline solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 121.13000
LogP: 1.15980
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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