4-O-[3-hydroxy-2,2-dimethyl-4-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-4-oxobutyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-2,2-dimethyl-4-(2-methylpropanoyloxymethoxy)-4-oxobutyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-2,2-dimethyl-4-oxo-4-(2-piperidin-1-ylethoxy)butyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-4-(3-imidazol-1-ylpropoxy)-2,2-dimethyl-4-oxobutyl] 1-O-methyl but-2-enedioate | CAS No. 9025-49-4

4-O-[3-hydroxy-2,2-dimethyl-4-[(5-methyl-2-methylidene-1,3-dioxol-4-yl)methoxy]-4-oxobutyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-2,2-dimethyl-4-(2-methylpropanoyloxymethoxy)-4-oxobutyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-2,2-dimethyl-4-oxo-4-(2-piperidin-1-ylethoxy)butyl] 1-O-methyl but-2-enedioate;4-O-[3-hydroxy-4-(3-imidazol-1-ylpropoxy)-2,2-dimethyl-4-oxobutyl] 1-O-methyl but-2-enedioate

Basic Information

CAS Number

9025-49-4

Molecular Formula

C12H12N2O3

Molecular Weight

232.24 g/mol

EINECS

232-796-2

AD

Basic Physical Properties

Physical State

white

Melting Point

No data available

Boiling Point

413.1±45.0 °C at 760 mmHg

Density

1.3±0.1 g/cm3

Water Solubility

125g/L at 25℃

Flash Point

203.6±28.7 °C

Solubility

H2O: 5-20 mg/mL

Vapor Pressure

0.004Pa at 25℃

CC1=C(OC(=C)O1)COC(=O)C(C(C)(C)COC(=O)C=CC(=O)OC)O.CC(C)C(=O)OCOC(=O)C(C(C)(C)COC(=O)C=CC(=O)OC)O.CC(C)(COC(=O)C=CC(=O)OC)C(C(=O)OCCCN1C=CN=C1)O.CC(C)(COC(=O)C=CC(=O)OC)C(C(=O)OCCN1CCCCC1)O

InChI

InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)

InChIKey

MHWLWQUZZRMNGJ-UHFFFAOYSA-N

LogP

1.42302

Topological Polar Surface Area

72.19 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

2190

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • Acidprotease-aspergillus
  • Molsin
  • ASPERGILLOPEPTIDASE MOLSIN
  • PROTEINASE 2A
  • NEWLASE
  • NAGARASE
  • Acidic Protease from Aspergillus
  • ACldic Protease
  • Proteinase, Aspergillusacid
  • PROTEASE TYPE XIII FUNGAL
  • INDUSTRIAL ACIDIC PROTEASE
  • Aspartic protease pepA
  • Aspergilloglutamic peptidase
  • Aspergillopepsin
  • Aspergillopepsin A
  • Aspergillopepsin B
  • Aspergillopepsin F
  • Aspergillopepsins
  • Aspergillopeptidase A
  • Aspergillopeptidases
  • Aspergillus acid protease
  • Aspergillus acid proteases
  • Aspergillus acid proteinase
  • Aspergillus aspartic proteinase
  • Aspergillus aspartic proteinases
  • Aspergillus awamori acid protease
  • Aspergillus awamori acid proteinase
  • Aspergillus awamori acid proteinases
  • Aspergillus carboxyl proteinase
  • Aspergillus niger acid protease
  • Aspergillus niger acid proteinase

MDL Number

MFCD00132092

EC Number

232-796-2

Customs Code

3504009000

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