1-Butanol,2-[(4-methylphenyl)amino]-, (2S)- supplier

Name
(S)-2-P-TOLYLAMINO-BUTAN-1-OL
EINECS
CAS No. 572923-27-4
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₇NO
Boiling Point 316.1 °C at 760 mmHg
Molecular Weight 179.26
Flash Point 121.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S)-2-(4-Methylanilino)butan-1-ol;
PSA 32.26000
LogP 2.25080

1-Butanol,2-[(4-methylphenyl)amino]-, (2S)- Specification

The 1-Butanol,2-[(4-methylphenyl)amino]-, (2S)-, with the CAS registry number 572923-27-4, is also known as (2S)-2-(p-Tolylamino)butan-1-ol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₁H₁₇NO and molecular weight is 179.26. What's more, its IUPAC name is called (2S)-2-(4-Methylanilino)butan-1-ol.

Physical properties about 1-Butanol,2-[(4-methylphenyl)amino]-, (2S)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 2.15; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 32.26 Å²; (9)Index of Refraction: 1.563; (10)Molar Refractivity: 56.07 cm³; (11)Molar Volume: 172.5 cm³; (12)Surface Tension: 41.2 dyne/cm; (13)Density: 1.038 g/cm³; (14)Flash Point: 121.9 °C; (15)Enthalpy of Vaporization: 58.85 kJ/mol; (16)Boiling Point: 316.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000176 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@@H](CO)Nc1ccc(C)cc1
(2) InChI: InChI=1/C11H17NO/c1-3-10(8-13)12-11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3/t10-/m0/s1
(3) InChIKey: CSWSSCJOWSVXOA-JTQLQIEIBU

Product Name

(S)-2-P-TOLYLAMINO-BUTAN-1-OL

1-Butanol,2-[(4-methylphenyl)amino]-, (2S)- Specification

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