Name: Z-GLU(OTBU)-OH DCHA
SKU: 3967-21-3

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Basic Information

Molecular Structure:
CAS No.:	3967-21-3
Name:	Z-GLU(OTBU)-OH DCHA

Formula:	C₂₉H₄₆N₂O₆
Molecular Weight:	518.694
Synonyms:	N-cyclohexylcyclohexanamine; 5-oxo-2-phenylmethoxycarbonylamino-5-tert-butoxy-pentanoic acid;Z-Glu(OtBu)-OH·DCHA;
EINECS:	223-581-4
Boiling Point:	522.6 °C at 760 mmHg
Flash Point:	269.9 °C
PSA:	113.96000
LogP:	6.51110

Total:18 Page 1 of 1 1

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Specification

The CAS register number of 5-tert-Butyl N-(benzyloxycarbonyl)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1) is 3967-21-3. It also can be called as 2-{[(benzyloxy)carbonyl]amino}-5-tert-butoxy-5-oxopentanoic acid - N-cyclohexylcyclohexanamine (1:1) (non-preferred name) and the IUPAC name about this chemical is N-cyclohexylcyclohexanamine; 5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid. The molecular formula about this chemical is C₂₉H₄₆N₂O₆ and the molecular weight is 518.69.

Physical properties about 5-tert-Butyl N-(benzyloxycarbonyl)-2-aminoglutarate, compound with N-dicyclohexylamine (1:1) are: (1)ACD/LogP: 3.43; (2)#H bond acceptors: 7; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 10; (5)Polar Surface Area: 82.14Å²; (6)Flash Point: 269.9 °C; (7)Enthalpy of Vaporization: 83.81 kJ/mol; (8)Boiling Point: 522.6 °C at 760 mmHg; (9)Vapour Pressure: 9.49E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CCC(C(=O)O)NC(=O)OCc1ccccc1.N(C1CCCCC1)C2CCCCC2
(2)InChI: InChI=1/C17H23NO6.C12H23N/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21);11-13H,1-10H2
(3)InChIKey: TZJOIDXKFOTKCW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C17H23NO6.C12H23N/c1-17(2,3)24-14(19)10-9-13(15(20)21)18-16(22)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21);11-13H,1-10H2
(5)Std. InChIKey: TZJOIDXKFOTKCW-UHFFFAOYSA-N

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Specification