dextro,laevo-asparagine monohydrate
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IUPAC name :2,4-diamino-4-oxobutanoic acid
InChI :InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
InChIKey :DCXYFEDJOCDNAF-UHFFFAOYAL
SMILES :C(C(C(=O)O)N)C(=O)N
cas number :3130-87-8
(EINECS) number :221-521-1
beilstein number :1723525
coe number :516
molar refractivity :29.20 ± 0.3 cm3
parachor :273.6 ± 4.0 cm3
index of refraction :1.533 ± 0.02
surface tension :71.6 ± 3.0 dyne/cm
density :1.404 ± 0.06 g/cm3
polarizability :11.57 ± 0.5 10-24cm3
XlogP : -4.40
XlogP3 : -3.40
molecular weight : 132.1179200 (IUPAC)
formula :C4 H8 N2 O3
BioActivity Analysis :565907
NMR Predictor :Predict
 
 
export tariff code :2924.10.1050
fda reg :unspecified
Suppliers :
Pfaltz & Bauer :DL-Asparagine Monohydrate
99%
Sigma-Aldrich-Sigma :DL-Asparagine monohydrate
≥98% (TLC)
TCI AMERICA :DL-Asparagine Monohydrate
>99.0%(T)
organoleptics :
properties :
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 220.00 °C. @ 760.00 mm Hg
boiling point : 438.00 °C. @ 760.00 mm Hg
flash point : 426.00  °F.  TCC  ( 218.89 °C. )
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 
safety in use :
 
recommendation for dextro,laevo-asparagine monohydrate fragrance usage levels up to :
 not for fragrance use.
safety references :
EPI System :view
Env. Mutagen Info. Center :Search
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
2,4-diamino-4-oxobutanoic acid
(EINECS) number :221-521-1
chemidplus :003130878
EPA Substance Registry Services :3130-87-8
dtp/nci :206243
references :
 
2,4-diamino-4-oxobutanoic acid
NIST Chemistry WebBook :2489854008
pubchem :207243
Cosmetics :
Cosmetic uses : antistatic agents
hair conditioning
masking agents
skin conditioning
other :
CosIng :cosmetic data
synonyms :
 agedoite
 altheine
(-)-asparagine
dextro,laevo-aspartamine
2,4-diamino-4-oxobutanoic acid
natural occurrence in :
 not found in nature  



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