CAS No.59830-60-3,CBZ-L-PHENYLALANINAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59830-60-3
Name:	CBZ-L-PHENYLALANINAL
Article Data:	79

Formula:	C₁₇H₁₇NO₃
Molecular Weight:	283.327
Synonyms:	CBZ-L-PHENYLALANINAL;
Density:	1.168g/cm³
Boiling Point:	450.4 °C at 760 mmHg
Flash Point:	226.2 °C
PSA:	55.40000
LogP:	3.11390

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Specification

The (S)-(-)-2-(Benzylcarbonylamino)-3-phenylpropanal, with CAS registry number 59830-60-3, has the systematic name of benzyl [(1S)-1-benzyl-2-oxoethyl]carbamate. Besides this, it is also called CBZ-L-Phenylalaninal. Its molecular weight is 283.32178. And the chemical formula of this chemical is C₁₇H₁₇NO₃.

Physical properties of (S)-(-)-2-(Benzylcarbonylamino)-3-phenylpropanal: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.77; (4)ACD/LogD (pH 7.4): 3.77; (5)ACD/BCF (pH 5.5): 434.34; (6)ACD/BCF (pH 7.4): 434.27; (7)ACD/KOC (pH 5.5): 2690.05; (8)ACD/KOC (pH 7.4): 2689.6; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 79.7 cm³; (15)Molar Volume: 242.4 cm³; (16)Polarizability: 31.59×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.168 g/cm³; (19)Flash Point: 226.2 °C; (20)Enthalpy of Vaporization: 70.93 kJ/mol; (21)Boiling Point: 450.4 °C at 760 mmHg; (22)Vapour Pressure: 2.65E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C[C@@H](NC(=O)OCc1ccccc1)Cc2ccccc2
(2)InChI: InChI=1/C17H17NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1
(3)InChIKey: HZDPJHOWPIVWMR-INIZCTEOBM
(4)Std. InChI: InChI=1S/C17H17NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1
(5)Std. InChIKey: HZDPJHOWPIVWMR-INIZCTEOSA-N