CAS No.65710-58-9,BOC-DAP(Z)-OH DCHA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65710-58-9
Name:	BOC-DAP(Z)-OH DCHA
Article Data:	1

Formula:	C₂₈H₄₅N₃O₆
Molecular Weight:	519.682
Synonyms:	Boc-Dap(Z)-OH·DCHA;
Boiling Point:	548.7 °C at 760 mmHg
Flash Point:	285.6 °C;
PSA:	125.99000
LogP:	6.30480

Total:36 Page 1 of 1 1

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Specification

The Boc-Dap(Z)-OH (dicyclohexylammonium) salt, with the CAS registry number 65710-58-9, is also known as Boc-Dap(Z)-OH (dicyclohexylammonium) salt. This chemical's molecular formula is C₂₈H₄₅N₃O₆ and molecular weight is 519.67. What's more, its systematic name is called 3-{[(Benzyloxy)carbonyl]amino}-N-(tert-butoxycarbonyl)-L-alanine - N-cyclohexylcyclohexanamine (1:1).

Physical properties about Boc-Dap(Z)-OH (dicyclohexylammonium) salt, are: (1) ACD/LogP: 3.24; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.83; (4) ACD/LogD (pH 7.4): -0.41; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 5.32; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 8; (10) #H bond donors: 3; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 85.38 Å²; (13) Flash Point: 285.6 °C; (14) Enthalpy of Vaporization: 87.17 kJ/mol; (15) Boiling Point: 548.7 °C at 760 mmHg; (16) Vapour Pressure: 7.12E-13 mmHg at 25 °C

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CNC(=O)OCc1ccccc1.N(C1CCCCC1)C2CCCCC2
(2) InChI: InChI=1/C16H22N2O6.C12H23N/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t12-;/m0./s1
(3) InChIKey: RPWGTQRQPVPFKR-YDALLXLXBR