CAS No.35150-06-2,BOC-CCK 33 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	35150-06-2
Name:	BOC-CCK 33

Formula:	C₁₄H₂₀N₂O₃
Molecular Weight:	264.324
Synonyms:	Carbamicacid, [(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester(9CI);Carbamic acid, [2-amino-2-oxo-1-(phenylmethyl)ethyl]-, 1,1-dimethylethylester, (S)-;30: PN: WO2010004535 PAGE: 34 claimed sequence;N-(tert-Butoxycarbonyl)phenylalanine amide;Boc-L-phenylalanine amide;
Density:	1.181 g/cm³
Boiling Point:	464 °C at 760 mmHg
Flash Point:	234.4 °C
PSA:	81.42000
LogP:	2.69890

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Specification

The CAS register number of Boc-L-phenylalanine amide is 35150-06-2. It also can be called as N-tert-Butoxycarbonyl-L-phenylalanine amide and the IUPAC name about this chemical is tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)carbamate. The molecular formula about this chemical is C₁₄H₂₀N₂O₃and molecular weight is 264.32.

Physical properties about Boc-L-phenylalanine amide are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.67; (5)ACD/BCF (pH 7.4): 20.66; (6)ACD/KOC (pH 5.5): 304.16; (7)ACD/KOC (pH 7.4): 304.09; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 49.85Å²; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 72.45 cm³; (14)Molar Volume: 234.8 cm³; (15)Polarizability: 28.72x10^-24cm³; (16)Surface Tension: 43.1 dyne/cm; (17)Enthalpy of Vaporization: 72.53 kJ/mol; (18)Boiling Point: 464 °C at 760 mmHg; (19)Vapour Pressure: 8.7E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(C(=O)N)Cc1ccccc1
(2)InChI: InChI=1/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)
(3)InChIKey: DHUPSFPAFRFQRO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-11(12(15)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,15,17)(H,16,18)
(5)Std. InChIKey: DHUPSFPAFRFQRO-UHFFFAOYSA-N