CAS No.51814-54-1,BOC-ALA-OBZL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51814-54-1
Name:	BOC-ALA-OBZL
Article Data:	24

Formula:	C₁₅H₂₁NO₄
Molecular Weight:	279.336
Synonyms:	tert-Butoxycarbonyl-L-alaninebenzyl ester;
EINECS:	1533716-785-6
Density:	1.1 g/cm³
Melting Point:	25.5-26℃ (ligroine )
Boiling Point:	392.675 °C at 760 mmHg
Flash Point:	191.283 °C
PSA:	64.63000
LogP:	3.03390

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Specification

The L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester, with the CAS registry number 51814-54-1, is also known as Boc-L-Alanine benzyl ester. This chemical's molecular formula is C₁₅H₂₁NO₄ and molecular weight is 279.33. What's more, its systematic name is called Benzyl N-(tert-butoxycarbonyl)-L-alaninate.

Physical properties about L-Alanine,N-[(1,1-dimethylethoxy)carbonyl]-, phenylmethyl ester are: (1) ACD/LogP: 2.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 230; (6) ACD/BCF (pH 7.4): 230; (7) ACD/KOC (pH 5.5): 1709; (8)ACD/KOC (pH 7.4): 1709; (9) #H bond acceptors: 5; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 64.63 Å²; (13) Index of Refraction: 1.505; (14) Molar Refractivity: 75.301 cm³; (15) Molar Volume: 254.003 cm³; (16) Surface Tension: 38.391 dyne/cm; (17) Density: 1.1 g/cm³; (18) Flash Point: 191.283 °C; (19) Enthalpy of Vaporization: 64.245 kJ/mol; (20) Boiling Point: 392.675 °C at 760 mmHg; (21) Vapour Pressure: 0 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](C(=O)OCc1ccccc1)C
(2) InChI: InChI=1/C15H21NO4/c1-11(16-14(18)20-15(2,3)4)13(17)19-10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,16,18)/t11-/m0/s1
(3) InChIKey: KZNCFIIFMFCSHL-NSHDSACABA