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Name |
Carbamic acid,N-[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester |
EINECS | N/A |
CAS No. | 146504-07-6 | Density | 1.02 g/cm3 |
PSA | 64.35000 | LogP | 2.87220 |
Solubility | N/A | Melting Point |
114-115℃ |
Formula | C11H22N2O2 | Boiling Point | 322.1 °C at 760 mmHg |
Molecular Weight | 214.308 | Flash Point | 148.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-45 | Risk Codes | 34 |
Molecular Structure | Hazard Symbols | C | |
Synonyms |
Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester, (1R-trans)-;Carbamic acid,[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester (9CI);(1R,2R)-(-)-N-(t-Butoxycarbonyl)-1,2-cyclohexanediamine;(1R,2R)-N-tert.-Butoxycarbonylcyclohexane-1,2-diamine;N-tert-Butoxycarbonyl-R,R-1,2-diaminocyclohexane; |
Article Data | 29 |
The Carbamic acid,N-[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester, with the CAS registry number 146504-07-6, is also known as (1R,2R)-Trans-N-boc-1,2-cyclohexanediamine. This chemical's molecular formula is C11H22N2O2 and molecular weight is 214.3046. What's more, its systematic name is Tert-butyl [(1R,2R)-2-aminocyclohexyl]carbamate.
Physical properties about Carbamic acid,N-[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.38; (4)ACD/LogD (pH 7.4): -0.34; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.92; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 60.02 cm3; (15)Molar Volume: 208.2 cm3; (16)Polarizability: 23.79×10-24 cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.02 g/cm3; (19)Flash Point: 148.6 °C; (20)Enthalpy of Vaporization: 56.39 kJ/mol; (21)Boiling Point: 322.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000286 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may destroy living tissue on contact. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water or seek medical advice. Besides, in case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N[C@@H]1CCCC[C@H]1N
(2) InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
(3) InChIKey: AKVIZYGPJIWKOS-RKDXNWHRBA