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62549-92-2

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Basic Information
CAS No.: 62549-92-2
Name: Boc-L-Tryptophan amide
Article Data: 7
Molecular Structure:
Molecular Structure of 62549-92-2 (Boc-L-Tryptophan amide)
Formula: C16H21N3O3
Molecular Weight: 303.361
Synonyms: (S)-N-(1-(Carbamoyl)-2-(1H-indol-3-yl)ethyl)carbamicacid tert-butyl ester;
Density: 1.226 g/cm3
Melting Point: 133-136 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
Boiling Point: 573.9 °C at 760 mmHg
Flash Point: 300.9 °C
PSA: 97.21000
LogP: 3.18020
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Specification

The CAS register number of Carbamicacid, [2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester,(S)- (9CI) is62549-92-2. It also can be called as (S)-N-(1-(Carbamoyl)-2-(1H-indol-3-yl)ethyl)carbamicacid tert-butyl ester and the systematic name about this chemical is Nα-(tert-butoxycarbonyl)tryptophanamide. The molecular formula about this chemical is C16H21N3O3 and the molecular weight is 303.3562.

Physical properties about Carbamicacid, [2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-, 1,1-dimethylethyl ester,(S)- (9CI) are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.1; (5)ACD/BCF (pH 7.4): 18.1; (6)ACD/KOC (pH 5.5): 276.6; (7)ACD/KOC (pH 7.4): 276.54; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 97.21Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 84.73 cm3; (14)Molar Volume: 247.2 cm3; (15)Polarizability: 33.59x10-24cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Enthalpy of Vaporization: 85.99 kJ/mol; (18)Boiling Point: 573.9 °C at 760 mmHg; (19)Vapour Pressure: 3.55E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2cnc1ccccc12
(2)InChI: InChI=1/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(17)20)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H2,17,20)(H,19,21)/t13-/m0/s1
(3)InChIKey: DDMFCQAPZYKTON-ZDUSSCGKBX
(4)Std. InChI: InChI=1S/C16H21N3O3/c1-16(2,3)22-15(21)19-13(14(17)20)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H2,17,20)(H,19,21)/t13-/m0/s1
(5)Std. InChIKey: DDMFCQAPZYKTON-ZDUSSCGKSA-N