CAS No.77119-85-8,(R)-(+)-2-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANAL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	77119-85-8
Name:	(R)-(+)-2-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANAL
Article Data:	34

Formula:	C₁₄H₁₉NO₃
Molecular Weight:	249.31
Synonyms:	Carbamicacid, (1-formyl-2-phenylethyl)-, 1,1-dimethylethyl ester, (R)-;Carbamic acid,[(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester (9CI);(R)-(+)-2-[(tert-Butoxycarbonyl)amino]-3-phenylpropanal;N-tert-Butoxycarbonyl-D-phenylalaninal;tert-Butoxycarbonyl-D-phenylalaninal;N-Boc-D-phenylalaninal;
Density:	1.077 g/cm³
Melting Point:	86-89 °C(lit.)
Boiling Point:	367 °C at 760 mmHg
Flash Point:	175.8 °C
Appearance:	White or tan crystalline powder
PSA:	55.40000
LogP:	2.71220

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Specification

The N-Boc-D-phenylalaninal with the CAS number 77119-85-8 is also called Carbamic acid,N-[(1R)-1-formyl-2-phenylethyl]-, 1,1-dimethylethyl ester. The IUPAC name is tert-butyl N-[(2R)-1-oxo-3-phenylpropan-2-yl]carbamate. Its molecular formula is C₁₄H₁₉NO₃. This chemical should be stored at Freezer (-20°C).

The properties of the chemical are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 148.5; (6)ACD/BCF (pH 7.4): 148.49; (7)ACD/KOC (pH 5.5): 1247.76; (8)ACD/KOC (pH 7.4): 1247.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 69.08 cm³; (15)Molar Volume: 231.3 cm³; (16)Polarizability: 27.38×10^-24cm³; (17)Surface Tension: 38.6 dyne/cm; (18)Enthalpy of Vaporization: 61.35 kJ/mol; (19)Vapour Pressure: 1.41×10^-5 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)Cc1ccccc1
(2)InChI: InChI=1/C14H19NO3/c1-14(2,3)18-13(17)15-12(10-16)9-11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)/t12-/m1/s1
(3)InChIKey: ZJTYRNPLVNMVPQ-GFCCVEGCBP