CAS No.58917-85-4,Cbz-D-Phenylalaninol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	58917-85-4
Name:	Cbz-D-Phenylalaninol
Article Data:	15

Formula:	C₁₇H₁₉NO₃
Molecular Weight:	285.343
Synonyms:	Carbamicacid, [(1R)-1-(hydroxymethyl)-2-phenylethyl]-, phenylmethyl ester (9CI);Carbamicacid, [1-(hydroxymethyl)-2-phenylethyl]-, phenylmethyl ester, (R)-;(R)-Z-Phenylalaninol;N-Benzyloxycarbonyl-D-phenylalaninol;Z-D-Phe-ol;Z-D-Phenylalaninol;
EINECS:	1533716-785-6
Density:	1.175 g/cm³
Melting Point:	92-95 °C
Boiling Point:	489 °C at 760 mmHg
Flash Point:	249.6 °C
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-37/39-26
PSA:	58.56000
LogP:	2.90730

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Specification

The Carbamic acid,N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-, phenylmethyl ester with the CAS number 58917-85-4 is also called Carbamicacid, [1-(hydroxymethyl)-2-phenylethyl]-, phenylmethyl ester, (R)-. The IUPAC name is benzyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate. Its molecular formula is C₁₇H₁₉NO₃. This chemical belongs to the following product categories: (1)Chiral; (2)Amino Alcohols; (3)Z-Amino acid series.

The properties of the Carbamic acid,N-[(1R)-1-(hydroxymethyl)-2-phenylethyl]-, phenylmethyl ester are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.87; (6)ACD/BCF (pH 7.4): 174.86; (7)ACD/KOC (pH 5.5): 1402.64; (8)ACD/KOC (pH 7.4): 1402.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 81.05 cm³; (15)Molar Volume: 242.6 cm³; (16)Polarizability: 32.13×10^-24cm³; (17)Surface Tension: 49 dyne/cm; (18)Enthalpy of Vaporization: 79.55 kJ/mol; (19)Vapour Pressure: 2.23×10^-10 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Secondly, you should wear suitable gloves and eye/face protection. Thirdly, you should avoid this chemical contact with skin and eyes. Finally, in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N[C@H](Cc2ccccc2)CO
(2)InChI: InChI=1/C17H19NO3/c19-12-16(11-14-7-3-1-4-8-14)18-17(20)21-13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
(3)InChIKey: WPOFMMJJCPZPAO-MRXNPFEDBR