Diureidoacetic acid supplier

Name
ALLANTOIC ACID
EINECS 202-735-4
CAS No. 99-16-1
Article Data18
CAS DataBase
Density 1.618 g/cm³
Solubility
Melting Point 168 °C
Formula C₄H₈N₄O₄
Boiling Point 439.2 °C at 760 mmHg
Molecular Weight 176.132
Flash Point 219.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, bis[(aminocarbonyl)amino]- (9CI);Acetic acid, diureido- (7CI,8CI);Allantoic acid (6CI);bis(carbamoylamino)acetic acid;2,2-di[(aminocarbonyl)amino]acetic acid;Acetic acid, bis[(aminocarbonyl)amino]-;Bis(carbamoylamino)acetic acid;
PSA 147.54000
LogP -0.08390

Diureidoacetic acid Specification

The Acetic acid,2,2-bis[(aminocarbonyl)amino]-, with the CAS registry number 99-16-1 and EINECS registry number 202-735-4, has the systematic name of bis(carbamoylamino)acetic acid. It belongs to the product categories of Amino Acids and Small molecule. And the molecular formula of the chemical is C₄H₈N₄O₄. What's more, it should be stored at 2-8°C.

The characteristics of Acetic acid,2,2-bis[(aminocarbonyl)amino]- are as followings: (1)ACD/LogP: -1.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.38; (4)ACD/LogD (pH 7.4): -5.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 73.4 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 36.42 cm³; (15)Molar Volume: 108.7 cm³; (16)Polarizability: 14.43×10^-24cm³; (17)Surface Tension: 89.4 dyne/cm; (18)Density: 1.618 g/cm³; (19)Flash Point: 219.4 °C; (20)Enthalpy of Vaporization: 76.33 kJ/mol; (21)Boiling Point: 439.2 °C at 760 mmHg; (22)Vapour Pressure: 6.07E-09 mmHg at 25°C.

Uses of Acetic acid,2,2-bis[(aminocarbonyl)amino]-: It can react with diazomethane to produce diureido-acetic acid methyl ester. This reaction will need menstruum diethyl ether and methanol. The reaction time is 24 hours, and the yield is about 79%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(NC(C(=O)O)NC(=O)N)N
(2)InChI: InChI=1/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)
(3)InChIKey: NUCLJNSWZCHRKL-UHFFFAOYAF

Product Name

ALLANTOIC ACID

Diureidoacetic acid Specification

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