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Basic Information
CAS No.: 51115-67-4
Name: N,2,3-Trimethyl-2-isopropylbutamide
Molecular Structure:
Molecular Structure of 51115-67-4 (N,2,3-Trimethyl-2-isopropylbutamide)
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: IrritantXi
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: IrritantXi
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 .

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