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L-Tyrosine,N-[(phenylmethoxy)carbonyl]-, hydrazide (16679-95-1)

Identification
Name:L-Tyrosine,N-[(phenylmethoxy)carbonyl]-, hydrazide
Synonyms:Tyrosine,N-carboxy-, N-benzyl ester, hydrazide, L- (8CI);Benzyloxycarbonyl-L-tyrosinehydrazide;N-Benzyloxycarbonyl-L-tyrosine hydrazide;N-Benzyloxycarbonyltyrosine hydrazide;NSC 88492;
CAS:16679-95-1
Molecular Formula: C17H19N3O4
Molecular Weight: 329.3505
InChI: InChI=1/C17H19N3O4/c18-20-16(22)15(10-12-6-8-14(21)9-7-12)19-17(23)24-11-13-4-2-1-3-5-13/h1-9,15,21H,10-11,18H2,(H,19,23)(H,20,22)
Molecular Structure: (C17H19N3O4) Tyrosine,N-carboxy-, N-benzyl ester, hydrazide, L- (8CI);Benzyloxycarbonyl-L-tyrosinehydrazide;N-Ben...
Properties
Density:1.3 g/cm3
Refractive index:1.616
Specification:

The L-Tyrosine,N-[(phenylmethoxy)carbonyl]-, hydrazide is an organic compound with the formula C17H19N3O4. The IUPAC name of this chemical is benzyl N-[1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate. With the CAS registry number 16679-95-1, it is also named as (s)-Benzyl 1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-ylcarbamate. Besides, it should be stored at temperature of -15 °C.

Physical properties about L-Tyrosine,N-[(phenylmethoxy)carbonyl]-, hydrazide are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.95; (6)ACD/BCF (pH 7.4): 8.92; (7)ACD/KOC (pH 5.5): 166.92; (8)ACD/KOC (pH 7.4): 166.54; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 62.32 Å2; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 88.55 cm3; (15)Molar Volume: 253.1 cm3; (16)Polarizability: 35.1×10-24cm3; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 347.2 °C; (20)Enthalpy of Vaporization: 99.34 kJ/mol; (21)Boiling Point: 650.4 °C at 760 mmHg; (22)Vapour Pressure: 1.62E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN)C(NC(=O)OCc1ccccc1)Cc2ccc(O)cc2
(2)InChI: InChI=1/C17H19N3O4/c18-20-16(22)15(10-12-6-8-14(21)9-7-12)19-17(23)24-11-13-4-2-1-3-5-13/h1-9,15,21H,10-11,18H2,(H,19,23)(H,20,22)
(3)InChIKey: YRNMJERWBOKZEI-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C17H19N3O4/c18-20-16(22)15(10-12-6-8-14(21)9-7-12)19-17(23)24-11-13-4-2-1-3-5-13/h1-9,15,21H,10-11,18H2,(H,19,23)(H,20,22)
(5)Std. InChIKey: YRNMJERWBOKZEI-UHFFFAOYSA-N

Storage Temperature: -15°C
Safety Data
 

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