ChemicalBook--->CAS DataBase List--->99-16-1

99-16-1

99-16-1 Structure

99-16-1 Structure
IdentificationBack Directory
[Name]

ALLANTOIC ACID
[CAS]

99-16-1
[Synonyms]

allantoic
allantoicaci
ALLANTOIC ACID
allantoicacidfreeacid
2,2-diureidoacetic acid
Allantoic acid potassium salt
2,2-bis(carbamoylamino)acetic acid
bis[(aminocarbonyl)amino]-aceticaci
Bis[(aminocarbonyl)amino]acetic acid
Acetic acid, bis[(aminocarbonyl)amino]-
2,2-bis(aminocarbonylamino)ethanoic acid
2,2-Bis[(aMinocarbonyl)aMino]acetic Acid
Acetic acid, 2,2-bis[(aminocarbonyl)amino]-
[EINECS(EC#)]

202-735-4
[Molecular Formula]

C4H8N4O4
[MDL Number]

MFCD00007949
[MOL File]

99-16-1.mol
[Molecular Weight]

176.13
Chemical PropertiesBack Directory
[Melting point ]

168 °C
[Boiling point ]

439.2±45.0 °C(Predicted)
[density ]

1.618±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Aqueous Base (Slightly, Sonicated)
[form ]

Solid
[pka]

2.97±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
[InChIKey]

NUCLJNSWZCHRKL-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C(NC(N)=O)NC(N)=O
[CAS DataBase Reference]

99-16-1
[EPA Substance Registry System]

Acetic acid, bis[(aminocarbonyl)amino]- (99-16-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P302+P352-P305+P351+P338
[WGK Germany ]

3
[TSCA ]

TSCA listed
[HS Code ]

2922500090
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

An metabolic intermediate in nucleic acid metabolism.
[Definition]

ChEBI: A member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively.
[Preparation]

Allantoic acid is a crystalline acid obtained by hydrolysis of allantoin.In nature, allantoic acid is produced from allantoin by the enzyme allantoinase.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ALLANTOIC ACID(99-16-1)MS
ALLANTOIC ACID(99-16-1)1HNMR
ALLANTOIC ACID(99-16-1)IR1
ALLANTOIC ACID(99-16-1)IR2
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