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| CAS No.: | 68123-29-5 |
|---|---|
| Name: | TRIS CARBONATE |
| Molecular Structure: | |
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| Formula: | C9H24N2O9 |
| Molecular Weight: | 304.295 |
| Synonyms: | Tris(hydroxymethyl)aminomethane carbonate;Carbonic acid, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2);Carbonic acid, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:2);Di(tris[hydroxymethyl]aminomethane) carbonate; |
| EINECS: | 268-546-4 |
| Boiling Point: | 357 °C at 760 mmHg |
| Flash Point: | 169.7 °C |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 230.95000 |
| LogP: | -3.05540 |
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Specification
The Trizma carbonate, with the CAS registry number 68123-29-5, is also known as Tris(hydroxymethyl)aminomethane carbonate. Its EINECS number is 268-546-4. This chemical's molecular formula is C9H24N2O9 and formula weight is 304.295. What's more, its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol; carbonic acid. It should be protected from strong oxidizers and acids and be stored at the temperature of 2-8°C.
Physical properties of Trizma carbonate are: (1)ACD/LogP: -1.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.43; (4)ACD/LogD (pH 7.4): -3.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 30.93 Å2; (11)Flash Point: 169.7 °C; (12)Enthalpy of Vaporization: 69.73 kJ/mol; (13)Boiling Point: 357 °C at 760 mmHg; (14)Vapour Pressure: 1.57E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(CO)(CO)N)O.C(C(CO)(CO)N)O.C(=O)(O)O
(2)InChI: InChI=1S/2C4H11NO3.CH2O3/c2*5-4(1-6,2-7)3-8;2-1(3)4/h2*6-8H,1-3,5H2;(H2,2,3,4)
(3)InChIKey: GYQWVHROHDZXRS-UHFFFAOYSA-N