-
Name
(R)-2-(TERT-BUTOXYCARBONYLAMINO)-2-((1R,4R)-4-HYDROXYCYCLOHEXYL)ACETIC ACID
- EINECS
- CAS No. 130624-89-4
- Article Data2
- CAS DataBase
- Density 1.195g/cm3
- Solubility
- Melting Point
- Formula C13H23NO5
- Boiling Point 455.4 °C at 760 mmHg
- Molecular Weight 273.329
- Flash Point 229.2 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2-(tert-butoxycarbonylamino)-2-(4-hydroxycyclohexyl)acetic acid
- PSA 95.86000
- LogP 1.90630
(R)-2-(tert-Butoxycarbonylamino)-2-((1R,4R)-4-hydroxycyclohexyl)acetic acid Specification
The (R)-2-(tert-Butoxycarbonylamino)-2-((1R,4R)-4-hydroxycyclohexyl)acetic acid with cas registry number of 130624-89-4, has the systematic name of 2-(tert-butoxycarbonylamino)-2-(4-hydroxycyclohexyl)acetic acid.
Physical properties about this chemical are: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 95.86 Å2; (7)Index of Refraction: 1.511; (8)Molar Refractivity: 68.55 cm3; (9)Molar Volume: 228.5 cm3; (10)Polarizability: 27.17×10-24cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Enthalpy of Vaporization: 82.5 kJ/mol; (13)Vapour Pressure: 3.3E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC(C1CCC(CC1)O)C(=O)O
(2)InChI: InChI=1/C13H23NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h8-10,15H,4-7H2,1-3H3,(H,14,18)(H,16,17)/t8-,9-,10?
(3)InChIKey: CFJDDDVVNKUBCL-BHLXARMKBX
(4)Std. InChI: InChI=1S/C13H23NO5/c1-13(2,3)19-12(18)14-10(11(16)17)8-4-6-9(15)7-5-8/h8-10,15H,4-7H2,1-3H3,(H,14,18)(H,16,17)/t8-,9-,10?
(5)Std. InChIKey: CFJDDDVVNKUBCL-BHLXARMKSA-N
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