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115-02-6

115-02-6 structural image
Product Name: AZASERINE
Formula: C5H7N3O4
Synonyms: O-Diazoacetyl-L-serine
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Azaserine appears as pale yellow to green crystals. Used as an antifungal agent.
Color/Form ORTHORHOMBIC, PALE YELLOW TO GREEN CRYSTALS FROM 90% ETHANOL.
Melting Point About 157 deg
Solubility SLIGHTLY SOL IN METHANOL, ABSOLUTE ETHANOL ACETONE; SOL IN WARM AQ SOLN OF METHANOL, ABSOLUTE ETHANOL ACETONE
Vapor Pressure 1.53X10-10 mmHg at 25 °C.
Henry's Law Constant Henry's Law constant: 2.56X10-16 atm-cu m/mole at 25 °C (est, SRC)
Stability/Shelf Life AQ SOLN ARE MOST STABLE @ PH 8
Optical Rotation SPECIFIC OPTICAL ROTATION: -0.5 DEG @ 27.5 °C/D (WATER @ PH 5.18, 8.46%) MAX ABSORPTION (WATER @ PH 7): 250.5 NM (E= 1140, /FOR/ 1% /SOLUTION/, 1 CM /PATH/); (0.1 N SODIUM HYDROXIDE): 252 NM (E= 1230, 1%, 1 CM)
Decomposition DECOMP 146-162 °C
Dissociation Constants PKA 8.55
Chemical Classes Biological Agents -> Bacterial Toxins

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H301:Acute toxicity,oral
H351:Carcinogenicity
Precautionary Statement Codes P201:Obtain special instructions before use.

COMPUTED DESCRIPTORS

Molecular Weight 173.13 g/mol
XLogP3 -3.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 173.04365571 g/mol
Monoisotopic Mass 173.04365571 g/mol
Topological Polar Surface Area 91.6 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 233
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Azaserine appears as pale yellow to green crystals. Used as an antifungal agent.