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[2-hydroxy(1,1,2,2-²H?)ethyl]trimethylazanium bromide

[2-hydroxy(1,1,2,2-²H?)ethyl]trimethylazanium bromide

CAS: 285979-69-3

Formula: C5H14BrNO

SMILES: [Br-].[2H]C([2H])(O)C([2H])([2H])[N+](C)(C)C

IUPAC: [2-hydroxy(1,1,2,2-²H?)ethyl]trimethylazanium bromide

InChI: InChI=1S/C5H14NO.BrH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i4D2,5D2;

Composition: C (31.93%), H (5.36%), [2H] (4.28%), Br (42.48%), N (7.45%), O (8.51%)

Molar Mass: 188.101

Atom Count: 22

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 187.050984
Formal Charge 0
FSP3 1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey JJCWKVUUIFLXNZ-HGFPCDIYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 42.19
Topological Polar Surface Area 20.23
Polarizability 12.02
Ring Count 0
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
99% <7 Days 285979-69-3 $1,098.14-$1,732.59$1,098.14$1,732.59
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 285979-69-3 $690.00-$1,035.00$690.00$1,035.00
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