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57477-39-1

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Basic Information
CAS No.: 57477-39-1
Name: BRL 54443
Molecular Structure:
Molecular Structure of 57477-39-1 (BRL 54443)
Formula: C14H18N2O
Molecular Weight: 230.30600
Synonyms: 3-(1-METHYL-4-PIPERIDINYL)-1H-INDOL-5-OL;5-hydroxy-3-(1-methylpiperidin-4-yl)indole;UNII-Q2DH1CHI0Y;3-(1-methyl-piperidin-4-yl)-indol-5-ol;Tocris-1129;Lopac-B-173;3-(1-methylpiperidin-4-yl)1H-indol-5-ol;
Density: 1.196
Boiling Point: 431.5±45.0 °C(Predicted)
PSA: 39.26000
LogP: 2.62060
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Chemistry

Molecular Structure of 3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol (CAS No.57477-39-1):
 
Molecular Formula: C14H18N2O
Molecular Weight: 230.31
CAS No: 57477-39-1
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 17.4 Å2
Index of Refraction: 1.646
Molar Refractivity: 69.93 cm3
Molar Volume: 192.5 cm3
Surface Tension: 53.3 dyne/cm
Density: 1.196 g/cm3
Flash Point: 214.8 °C
Enthalpy of Vaporization: 71.37 kJ/mol
Boiling Point: 431.5 °C at 760 mmHg
Vapour Pressure: 4.72E-08 mmHg at 25°C
Systematic Name: 3-(1-Methylpiperidin-4-yl)-1H-indol-5-ol 
InChI: InChI=1/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
InChIKey: WKNFADCGOAHBPG-UHFFFAOYAL
Std. InChI: InChI=1S/C14H18N2O/c1-16-6-4-10(5-7-16)13-9-15-14-3-2-11(17)8-12(13)14/h2-3,8-10,15,17H,4-7H2,1H3
Std. InChIKey: WKNFADCGOAHBPG-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3

Specification

  3-(1-Methyl-4-piperidinyl)-1H-indol-5-ol (CAS No.57477-39-1), it also can be called BRL 54443 .