CAS No.62396-48-9,Boc-D-Aspartic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62396-48-9
Name:	Boc-D-Aspartic acid
Article Data:	3

Formula:	C₉H₁₅NO₆
Molecular Weight:	233.221
Synonyms:	N-Boc-D-asparticacid;Boc-D-Asp-OH;N-(tert-Butoxycarbonyl)-D-aspartic Acid;
EINECS:	1533716-785-6
Density:	1.302 g/cm³
Boiling Point:	377.4 °C at 760 mmHg
Flash Point:	182.1 °C
Safety:	24/25
PSA:	112.93000
LogP:	0.82990

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Specification

The CAS register number of D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]- is 62396-48-9. It also can be called as Boc-D-Asp-OH and the systematic name about this chemical is N-(tert-butoxycarbonyl)-D-aspartic acid. The molecular formula about this chemical is C₉H₁₅NO₆and the molecular weight is 233.22. It belongs to the following product categories, such as Aspartic acid [Asp, D]; Amino Acids; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids; Boc-Amino acid series and so on.

Physical properties about D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]- are: (1)ACD/LogP: 1.11; (2)ACD/LogD (pH 5.5): -1.89; (3)ACD/LogD (pH 7.4): -3.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 82.14Å²; (12)Index of Refraction: 1.494; (13)Molar Refractivity: 52.16 cm³; (14)Molar Volume: 179 cm³; (15)Polarizability: 20.68x10^-24cm³; (16)Surface Tension: 51.1 dyne/cm; (17)Enthalpy of Vaporization: 68.65 kJ/mol; (18)Boiling Point: 377.4 °C at 760 mmHg; (19)Vapour Pressure: 9.72E-07 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)CC(=O)O
(2)InChI: InChI=1/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m1/s1
(3)InChIKey: KAJBMCZQVSQJDE-RXMQYKEDBB
(4)Std. InChI: InChI=1S/C9H15NO6/c1-9(2,3)16-8(15)10-5(7(13)14)4-6(11)12/h5H,4H2,1-3H3,(H,10,15)(H,11,12)(H,13,14)/t5-/m1/s1
(5)Std. InChIKey: KAJBMCZQVSQJDE-RXMQYKEDSA-N