CAS No.82689-19-8,N-alpha-Boc-L-tryptophanol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	82689-19-8
Name:	N-alpha-Boc-L-tryptophanol
Article Data:	25

Formula:	C₁₆H₂₂N₂O₃
Molecular Weight:	290.362
Synonyms:	Carbamicacid, [(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-,1,1-dimethylethyl ester, (S)-;1,1-Dimethylethyl[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamate;N-tert-Butoxycarbonyl-L-tryptophanol;Boc-Trp-ol;Boc-Tryptophanol;
Density:	1.19 g/cm³
Melting Point:	118-122 °C(lit.)
Boiling Point:	518.1 °C at 760 mmHg
Flash Point:	267.1 °C
Appearance:	White to off-white powder
PSA:	74.35000
LogP:	2.98690

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Specification

The Carbamic acid,N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester with the CAS number 82689-19-8 is also called 1,1-Dimethylethyl[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamate. The systematic name is tert-butyl [(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]carbamate. Its molecular formula is C₁₆H₂₂N₂O₃. This chemcial belongs to the following product categories: (1)Amino Acids; (2)Tryptophan [Trp, W]; (3)Amino Alcohols; (4)Boc-Amino acid series; (5)Amino Acid Derivatives; (6)Peptide Synthesis; (7)Tryptophan.

The properties of the Carbamic acid,N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 52.36; (6)ACD/BCF (pH 7.4): 52.36; (7)ACD/KOC (pH 5.5): 591.64; (8)ACD/KOC (pH 7.4): 591.63; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 43.7 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 82.7 cm³; (15)Molar Volume: 243.9 cm³; (16)Polarizability: 32.78×10^-24cm³; (17)Surface Tension: 49.7 dyne/cm; (18)Enthalpy of Vaporization: 83.23 kJ/mol; (19)Vapour Pressure: 1.47×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](CO)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C16H22N2O3/c1-16(2,3)21-15(20)18-12(10-19)8-11-9-17-14-7-5-4-6-13(11)14/h4-7,9,12,17,19H,8,10H2,1-3H3,(H,18,20)/t12-/m0/s1
(3)InChIKey: JEFQUFUAEKORKL-LBPRGKRZBV