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Cas Database |
| Name |
N-(Carbamoylmethyl)taurine |
EINECS | 230-908-4 |
| CAS No. | 7365-82-4 | Density | 1.484 g/cm3 |
| PSA | 117.87000 | LogP | 0.12110 |
| Solubility | soluble in water | Melting Point |
270-295 °C |
| Formula | C4H10N2O4S | Boiling Point | 404.49℃ |
| Molecular Weight | 182.2 | Flash Point | N/A |
| Transport Information | N/A | Appearance | White crystals |
| Safety | 37/39-26 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Taurine,N-(carbamoylmethyl)- (7CI);2-[(2-Amino-2-oxoethyl)amino]ethanesulfonic acid;ACES;NSC 166668; |
Article Data | 7 |
N-(Carbamoylmethyl)taurine Synthetic route
- 7365-82-4
N-(2-acetamido)-2-aminoethanesulfonic acid
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran at 60℃; under 7500.75 Torr; for 8h; | 82% |
- 7365-82-4
N-(2-acetamido)-2-aminoethanesulfonic acid
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran at 60℃; under 3750.38 Torr; for 8h; | 82% |
- 7365-82-4
N-(2-acetamido)-2-aminoethanesulfonic acid
| Conditions | Yield |
|---|---|
| With ammonia In acetonitrile at 60℃; under 3750.38 Torr; for 8h; | 80% |
N-(Carbamoylmethyl)taurine Chemical Properties
IUPAC Name: 2-[(2-Amino-2-oxoethyl)amino]ethanesulfonic acid
Synonyms: 2-((2-Amino-2-oxoethyl)amino)ethanesulfonic acid ; Ethanesulfonic acid, 2-((2-amino-2-oxoethyl)amino)- ; N-(2-Acetamido)-2-aminoethanesulfonic acid
CAS NO: 7365-82-4
Molecular Formula: C4H10N2O4S
Molecular Weight: 182.19
Molecular Structure: 
EINECS: 230-908-4
H bond acceptors: 6
H bond donors: 4
Freely Rotating Bonds: 5
Polar Surface Area: 75.3 Å2
Index of Refraction: 1.536
Molar Refractivity: 38.3 cm3
Molar Volume: 122.7 cm3
Surface Tension: 68.6 dyne/cm
Density: 1.484 g/cm3
Melting point 270-295 °C
Solubility H2O: 0.1 M at 20 °C, clear, colorless
Storage temp: Store at RT.
Appearance: White crystals
Product Categories of Aces (CAS NO.7365-82-4): Biochemistry;Good's Buffers; Buffer
SMILES: O=S(=O)(O)CCNCC(=O)N
InChI: InChI=1/C4H10N2O4S/c5-4(7)3-6-1-2-11(8,9)10/h6H,1-3H2,(H2,5,7)(H,8,9,10)
N-(Carbamoylmethyl)taurine Safety Profile
Safety Information about Aces (CAS NO.7365-82-4):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39: Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
HS Code: 29241900
N-(Carbamoylmethyl)taurine Specification
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam.
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Store in a tightly closed container.
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