1H-Indole-1-carboxylicacid, 2,3-dihydro-2-(hydroxymethyl)-, phenylmethyl ester supplier

Name
BENZYL 2-(HYDROXYMETHYL)-1-INDOLINECARBOXYLATE
EINECS 604-604-1
CAS No. 135829-04-8
Article Data4
CAS DataBase
Density 1.251 g/cm³
Solubility
Melting Point 67 °C
Formula C₁₇H₁₇NO₃
Boiling Point 452.2 °C at 760 mmHg
Molecular Weight 283.327
Flash Point 227.3 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzyl 2-(hydroxymethyl)-1-indolinecarboxylate;
PSA 49.77000
LogP 2.81180

1H-Indole-1-carboxylicacid, 2,3-dihydro-2-(hydroxymethyl)-, phenylmethyl ester Specification

The 1H-Indole-1-carboxylicacid, 2,3-dihydro-2-(hydroxymethyl)-, phenylmethyl ester, with the CAS registry number of 135829-04-8, is also known as Benzyl 2-(hydroxymethyl)-1-indolinecarboxylate. This chemical's molecular formula is C₁₇H₁₇NO₃ and molecular weight is 283.32. What's more, its systematic name is Benzyl 2-(hydroxymethyl)-2,3-dihydro-1H-indole-1-carboxylate.

Physical properties about the 1H-Indole-1-carboxylicacid, 2,3-dihydro-2-(hydroxymethyl)-, phenylmethyl ester are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 265; (6)ACD/BCF (pH 7.4): 265; (7)ACD/KOC (pH 5.5): 1888.69; (8)ACD/KOC (pH 7.4): 1888.7; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 79.04 cm³; (15)Molar Volume: 226.4 cm³; (16)Surface Tension: 53.7 dyne/cm; (17)Density: 1.251 g/cm³; (18)Flash Point: 227.3 °C; (19)Enthalpy of Vaporization: 74.97 kJ/mol; (20)Boiling Point: 452.2 °C at 760 mmHg; (21)Vapour Pressure: 5.75E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCc1ccccc1)N3c2ccccc2CC3CO
(2) InChI: InChI=1/C17H17NO3/c19-11-15-10-14-8-4-5-9-16(14)18(15)17(20)21-12-13-6-2-1-3-7-13/h1-9,15,19H,10-12H2
(3) InChIKey: QSMOQTIGILELKY-UHFFFAOYAM

Product Name

BENZYL 2-(HYDROXYMETHYL)-1-INDOLINECARBOXYLATE

1H-Indole-1-carboxylicacid, 2,3-dihydro-2-(hydroxymethyl)-, phenylmethyl ester Specification

Related Products

Hot Products