-
Name
TERT-BUTYL 2-(TERT-BUTOXYCARBONYLAMINO)-6-HYDROXYHEXANOATE
- EINECS
- CAS No. 220243-81-2
- Density 1.046g/cm3
- Solubility
- Melting Point
- Formula C15H29NO5
- Boiling Point 413.5 °C at 760 mmHg
- Molecular Weight 303.399
- Flash Point 203.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms norleucine, N-[(1,1-dimethylethoxy)carbonyl]-6-hydroxy-, 1,1-dimethylethyl ester;tert-butyl N-(tert-butoxycarbonyl)-6-hydroxynorleucinate
- PSA 84.86000
- LogP 2.77490
tert-Butyl 2-(tert-butoxycarbonylamino)-6-hydroxyhexanoate Specification
The tert-Butyl 2-(tert-butoxycarbonylamino)-6-hydroxyhexanoate, with cas registry number 220243-81-2, has the systematic name of tert-butyl 2-(tert-butoxycarbonylamino)-6-hydroxy-hexanoate. Besides this, it is also called norleucine, N-[(1,1-dimethylethoxy)carbonyl]-6-hydroxy-, 1,1-dimethylethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.38; (4)ACD/LogD (pH 7.4): 2.38; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 84.86 Å2; (9)Index of Refraction: 1.464; (10)Molar Refractivity: 80.11 cm3; (11)Molar Volume: 289.8 cm3; (12)Polarizability: 31.75×10-24cm3; (13)Surface Tension: 36.1 dyne/cm; (14)Enthalpy of Vaporization: 76.98 kJ/mol; (15)Vapour Pressure: 1.45E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)C(CCCCO)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C15H29NO5/c1-14(2,3)20-12(18)11(9-7-8-10-17)16-13(19)21-15(4,5)6/h11,17H,7-10H2,1-6H3,(H,16,19)
(3)InChIKey: QGRZGCDRSJDGOA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H29NO5/c1-14(2,3)20-12(18)11(9-7-8-10-17)16-13(19)21-15(4,5)6/h11,17H,7-10H2,1-6H3,(H,16,19)
(5)Std. InChIKey: QGRZGCDRSJDGOA-UHFFFAOYSA-N
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