(R)-(+)-2-(Benzylcarbonylamino)-3-phenylpropanal supplier

Name
CBZ-D-PHENYLALANINAL
EINECS
CAS No. 63219-70-5
Article Data20
CAS DataBase
Density 1.168g/cm³
Solubility
Melting Point
Formula C₁₇H₁₇NO₃
Boiling Point 482.266 °C at 760 mmHg
Molecular Weight 283.327
Flash Point 183.494 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms CBZ-D-PHENYLALANINAL;
PSA 55.40000
LogP 3.11390

(R)-(+)-2-(Benzylcarbonylamino)-3-phenylpropanal Specification

The (R)-(+)-2-(Benzylcarbonylamino)-3-phenylpropanal, with CAS registry number 63219-70-5, has the systematic name of N-[(1R)-1-benzyl-2-oxo-ethyl]-2-phenyl-acetamide. And the chemical formula of this chemical is C₁₇H₁₇NO₃.

Physical properties of (R)-(+)-2-(Benzylcarbonylamino)-3-phenylpropanal: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.157; (4)ACD/LogD (pH 7.4): 2.157; (5)ACD/BCF (pH 5.5): 25.684; (6)ACD/BCF (pH 7.4): 25.684; (7)ACD/KOC (pH 5.5): 355.347; (8)ACD/KOC (pH 7.4): 355.347; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.17 Å²; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 77.958 cm³; (15)Molar Volume: 236.104 cm³; (16)Polarizability: 30.905×10^-24cm³; (17)Surface Tension: 45.933 dyne/cm; (18)Enthalpy of Vaporization: 74.713 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)C[C@H](C=O)NC(=O)Cc2ccccc2
(2)InChI: InChI=1/C17H17NO2/c19-13-16(11-14-7-3-1-4-8-14)18-17(20)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,18,20)/t16-/m1/s1
(3)InChIKey: GPQBFZSCHGUTPH-MRXNPFEDBQ
(4)Std. InChI: InChI=1S/C17H17NO2/c19-13-16(11-14-7-3-1-4-8-14)18-17(20)12-15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,18,20)/t16-/m1/s1
(5)Std. InChIKey: GPQBFZSCHGUTPH-MRXNPFEDSA-N

Product Name

CBZ-D-PHENYLALANINAL

(R)-(+)-2-(Benzylcarbonylamino)-3-phenylpropanal Specification

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