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| CAS No.: | 51115-67-4 |
|---|---|
| Name: | N,2,3-Trimethyl-2-isopropylbutamide |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C10H21NO |
| Molecular Weight: | 171.283 |
| Synonyms: | 2-Isopropyl-N,2,3-trimethylbutanamide;Cooling Sensate WS 23; N,2,3-Trimethyl-2-isopropylbutanamide; WS 23; WS 23 (coolingagent) |
| EINECS: | 256-974-4 |
| Density: | 0.854 g/cm3 |
| Melting Point: | 58-61 °C |
| Boiling Point: | 233 °C at 760 mmHg |
| Flash Point: | 132 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | R36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 29.10000 |
| LogP: | 2.44160 |
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Chemistry
Molecule structure of Butanamide, N,2,3-trimethyl-2-(1-methylethyl)- (CAS NO.51115-67-4):
IUPAC Name: N,2,3-Trimethyl-2-propan-2-ylbutanamide
Molecular Weight: 171.27984 g/mol
Molecular Formula: C10H21NO
Density: 0.854 g/cm3
Melting Point: 58-61 °C
Boiling Point: 233 °C at 760 mmHg
Flash Point: 132 °C
Index of Refraction: 1.431
Molar Refractivity: 51.88 cm3
Molar Volume: 200.3 cm3
Polarizability: 20.56×10-24 cm3
Surface Tension: 26.1 dyne/cm
Enthalpy of Vaporization: 46.97 kJ/mol
Vapour Pressure: 0.0573 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 171.162314
MonoIsotopic Mass: 171.162314
Topological Polar Surface Area: 29.1
Heavy Atom Count: 12
Complexity: 153
Canonical SMILES: CC(C)C(C)(C(C)C)C(=O)NC
InChI: InChI=1S/C10H21NO/c1-7(2)10(5,8(3)4)9(12)11-6/h7-8H,1-6H3,(H,11,12)
InChIKey: RWAXQWRDVUOOGG-UHFFFAOYSA-N
EINECS of Butanamide, N,2,3-trimethyl-2-(1-methylethyl)- (CAS NO.51115-67-4): 256-974-4
Safety Profile
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.
Specification
Butanamide, N,2,3-trimethyl-2-(1-methylethyl)- (CAS NO.51115-67-4) is also named as 2-Isopropyl-N,2,3-trimethylbutyramide ; Methyl diisopropyl propionamide ; N,2,3-Trimethyl-2-(1-methylethyl)butanamide ; N,2,3-Trimethyl-2-isopropylbutanamide ; Trimethyl isopropyl butanamide .