CAS No.4801-80-3,Z-PHE-NH2 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4801-80-3
Name:	Z-PHE-NH2
Article Data:	39

Formula:	C₁₇H₁₈N₂O₃
Molecular Weight:	298.342
Synonyms:	Carbamicacid, [2-amino-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester, (S)-;Benzyloxycarbonyl-L-phenylalaninamide;
Density:	1.143 g/cm3
Melting Point:	165-166 °C(Solv: chloroform (67-66-3); heptane (142-82-5))
Boiling Point:	356.9oC at 760 mmHg
Flash Point:	169.7oC
PSA:	81.42000
LogP:	3.10060

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Specification

The CAS register number of Carbamicacid, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester is 4801-80-3. It also can be called as N-Benzyloxycarbonyl-L-phenylalanineamide and the systematic name about this chemical is L-phenylalaninamide. The molecular formula about this chemical is C₁₇H₁₈N₂O₃ and the molecular weight is 298.34.

Physical properties about Carbamicacid, N-[(1S)-2-amino-2-oxo-1-(phenylmethyl)ethyl]-, phenylmethyl ester are: (1)ACD/LogP: 0.18; (2)ACD/LogD (pH 7.4): 0.01; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 20.13; (7)#H bond acceptors: 3; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 23.55Å²; (11)Index of Refraction: 1.575; (12)Molar Refractivity: 47.49 cm³; (13)Molar Volume: 143.6 cm³; (14)Polarizability: 18.82x10^-24cm³; (15)Surface Tension: 51.2 dyne/cm; (16)Enthalpy of Vaporization: 60.22 kJ/mol; (17)Boiling Point: 356.9 °C at 760 mmHg; (18)Vapour Pressure: 2.83E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](N)Cc1ccccc1
(2)InChI: InChI=1/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
(3)InChIKey: OBSIQMZKFXFYLV-QMMMGPOBBR
(4)Std. InChI: InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
(5)Std. InChIKey: OBSIQMZKFXFYLV-QMMMGPOBSA-N