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dimethyl[3-(2-methylprop-2-enamido)propyl](4-sulfobutyl)azanium

dimethyl[3-(2-methylprop-2-enamido)propyl](4-sulfobutyl)azanium

Formula: C13H27N2O4S

SMILES: CC(=C)C(=O)NCCC[N+](C)(C)CCCCS(O)(=O)=O

IUPAC: dimethyl[3-(2-methylprop-2-enamido)propyl](4-sulfobutyl)azanium

InChI: InChI=1S/C13H26N2O4S/c1-12(2)13(16)14-8-7-10-15(3,4)9-5-6-11-20(17,18)19/h1,5-11H2,2-4H3,(H-,14,16,17,18,19)/p+1

Composition: C (50.79%), H (8.85%), N (9.11%), O (20.82%), S (10.43%)

Molar Mass: 307.43

Atom Count: 47

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 307.168604952
Formal Charge 1
FSP3 0.77
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YVECQSLRWYXZTR-UHFFFAOYSA-O
Lipinski's Rule of Five 1
Molar Refractivity 91.36
Topological Polar Surface Area 83.47
Polarizability 31.77
Ring Count 0
Rotatable Bond Count 10

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <14 Days C13H27N2O4S Quote Only