CAS 51973-32-1|1-羟基-2,2,5,5-四甲基-3-咪唑啉-4-甲醛腙-3-氧化物|HHTI|2,5-二氢-1-羟基-2,2,5,5-四甲基咪唑-4-甲醛腙 3-氧化物|3-hydroxy-5-methanehydrazonoyl-2,2,4,4-tetramethylimidazol-1-ium-1-olate|1-h...

General Information

Structure

Molecular Formula

C₈H₁₆N₄O₂

Molecular Mass

200.23824

Exact Mass

200.12732577

Charge

InChI

InChI=1S/C8H16N4O2/c1-7(2)6(5-10-9)11(13)8(3,4)12(7)14/h5,14H,9H2,1-4H3

InChIKey

RECWZGQVKLHOJZ-UHFFFAOYSA-N

Canonic Smiles

N/N=C/C1=[N+]([O-])C(N(C1(C)C)O)(C)C

Isomeric Smiles

CC1(C(=[N+](C(N1O)(C)C)[O-])/C=N/N)C

Calculated Properties

JChem

Acid pKa

14.579868

H Acceptors

H Donor

LogD (pH = 5.5)

0.375348

LogD (pH = 7.4)

0.37601033

Log P

0.3760188

Molar Refractivity

55.8139

Polarizability

20.292135

Polar Surface Area

90.6

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-羟基-2,2,5,5-四甲基-3-咪唑啉-4-甲醛腙-3-氧化物HHTI2,5-二氢-1-羟基-2,2,5,5-四甲基咪唑-4-甲醛腙 3-氧化物4-亚肼基甲基-1-羟基-2,2,5,5-四甲基-3-咪唑啉-3-氧化物1-Hydroxy-2,2,5,5-tetramethyl-3-imidazoline-4-carboxaldehyde hydrazone-3-oxide2,5-Dihydro-1-hydroxy-2,2,5,5-tetramethylimidazole-4-carboxaldehyde hydrazone 3-oxide4-Hydrazonomethyl-1-hydroxy-2,2,5,5-tetramethyl-3-imidazoline-3-oxide

IUPAC Traditional name

3-hydroxy-5-methanehydrazonoyl-2,2,4,4-tetramethylimidazol-1-ium-1-olate

IUPAC name

1-hydroxy-4-methanehydrazonoyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazol-3-ium-3-olate

Names and Identifiers

Registration numbers

Beilstein Number

6862527

MDL Number

MFCD00074924

CAS Number

51973-32-1