CAS No.200334-95-8,Boc-D-Asp(OtBu)-OH DCHA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	200334-95-8
Name:	Boc-D-Asp(OtBu)-OH DCHA

Formula:	C₂₅H₄₆N₂O₆
Molecular Weight:	470.64
Synonyms:	Boc-D-Asp(OtBu)-OH·DCHA;
Boiling Point:	607.7 °C at 760 mmHg
Flash Point:	321.3 °C
PSA:	113.96000
LogP:	5.71930

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Specification

The Boc-D-Asp(OtBu)-OH DCHA, with the CAS registry number 200334-95-8, is also known as Boc-L-Asp(OtBu)-OH dicyclohexylamine salt (1:1). It belongs to the product categories of Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C₂₅H₄₆N₂O₆ and molecular weight is 470.64. What's more, its systematic name is called D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-(1,1-dimethylethyl) ester, compd. with N-cyclohexylcyclohexanamine (1:1).

Physical properties about Boc-D-Asp(OtBu)-OH DCHA are: (1) ACD/LogP: 6.41; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 3.91; (4) ACD/LogD (pH 7.4): 3.91; (5) #H bond acceptors: 8; (6) #H bond donors: 3; (7) #Freely Rotating Bonds: 10; (8) Polar Surface Area: 121.37 Å²; (9) Flash Point: 321.3 °C; (10) Enthalpy of Vaporization: 98.6 kJ/mol; (11) Boiling Point: 607.7 °C at 760 mmHg; (12) Vapour Pressure: 2.47E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C([O-])=O.C1CCCCC1[NH2+]C2CCCCC2
(2) InChI: InChI=1/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2/t8-;/m1./s1
(3) InChIKey: OMYRDWOMNDCKEJ-DDWIOCJRBJ