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Carbamic acid,N-[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester

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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 Molecular Structure of 146504-07-6 ((1R,2R)-trans-N-Boc-1,2-Cyclohexanediamine) Hazard Symbols CorrosiveC
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

Carbamic acid,N-[(1R,2R)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester Specification

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

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