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6367-08-4

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Basic Information
CAS No.: 6367-08-4
Name: AC-LYS(Z)-OH
Article Data: 5
Molecular Structure:
Molecular Structure of 6367-08-4 (AC-LYS(Z)-OH)
Formula: C16H22N2O5
Molecular Weight: 322.361
Synonyms: Lysine,N2-acetyl-N6-carboxy-, N-benzyl ester (7CI);Lysine, N2-acetyl-N6-carboxy-,N6-benzyl ester, L- (8CI);BTB 13566;NSC 333572;
Density: 1.204 g/cm3
Melting Point: 107-110 °C(Solv: chloroform (67-66-3); ligroine (8032-32-4))
Boiling Point: 612.4 °C at 760 mmHg
Flash Point: 324.1 °C
PSA: 104.73000
LogP: 2.45420
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Specification

The L-Lysine,N2-acetyl-N6-[(phenylmethoxy)carbonyl]-, with the CAS registry number 6367-08-4, is also known as Lysine,N2-acetyl-N6-carboxy-, N-benzyl ester (7CI). This chemical's molecular formula is C16H22N2O5 and molecular weight is 322.36. What's more, its IUPAC name is 2-Acetamido-6-(phenylmethoxycarbonylamino)hexanoic acid and systematic name is called N2-Acetyl-N6-[(benzyloxy)carbonyl]lysine.

Physical properties about L-Lysine,N2-acetyl-N6-[(phenylmethoxy)carbonyl]- are: (1) ACD/LogP: 0.97; (2) # of Rule of 5 Violations: 0; (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): 1; (7) #H bond acceptors: 7; (8) #H bond donors: 3; (9) #Freely Rotating Bonds: 10; (10) Polar Surface Area: 76.15 Å2; (11) Index of Refraction: 1.535; (12) Molar Refractivity: 83.38 cm3; (13) Molar Volume: 267.5 cm3; (14) Surface Tension: 48.7 dyne/cm; (15) Density: 1.204 g/cm3; (16) Flash Point: 324.1 °C; (17) Enthalpy of Vaporization: 95.58 kJ/mol; (18) Boiling Point: 612.4 °C at 760 mmHg; (19) Vapour Pressure: 7.51E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(NC(=O)C)CCCCNC(=O)OCc1ccccc1
(2) InChI: InChI=1/C16H22N2O5/c1-12(19)18-14(15(20)21)9-5-6-10-17-16(22)23-11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3,(H,17,22)(H,18,19)(H,20,21)
(3) InChIKey: JYUVJQBGBKAJMS-UHFFFAOYA