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(1S,2S)-Boc-1,2-diaminocyclohexane

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Name

(1S,2S)-Boc-1,2-diaminocyclohexane

EINECS N/A
CAS No. 180683-64-1 Density 1.02 g/cm3
PSA 64.35000 LogP 2.87220
Solubility N/A Melting Point 118-119 °C
Formula C11H22N2O2 Boiling Point 322.1 °C at 760 mmHg
Molecular Weight 214.308 Flash Point 148.6 °C
Transport Information UN 3259 8/PG 3 Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 180683-64-1 ((1S,2S)-Boc-1,2-diaminocyclohexane) Hazard Symbols CorrosiveC
Synonyms

Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester, (1S-trans)-;Carbamic acid,[(1S,2S)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester (9CI);N-tert-Butoxycarbonyl-S,S-1,2-diaminocyclohexane;tert-Butyl((1S,2S)-2-aminocyclohexyl)carbamate;

Article Data 18

(1S,2S)-Boc-1,2-diaminocyclohexane Specification

The CAS register number of Carbamic acid,N-[(1S,2S)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester is 180683-64-1. It also can be called as Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester, (1S-trans)- and the systematic name about this chemical is tert-butyl [(1S,2S)-2-aminocyclohexyl]carbamate. The molecular formula about this chemical is C11H22N2O2 and the molecular weight is 214.30458. It belongs to the following product categorie which include API intermediates.

Physical properties about Carbamic acid,N-[(1S,2S)-2-aminocyclohexyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.66; (2)ACD/LogD (pH 5.5): -1.38; (3)ACD/LogD (pH 7.4): -0.34; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.92; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.488; (13)Molar Refractivity: 60.02 cm3; (14)Molar Volume: 208.2 cm3; (15)Polarizability: 23.79x10-24cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.02 g/cm3; (18)Flash Point: 148.6 °C; (19)Enthalpy of Vaporization: 56.39 kJ/mol; (20)Boiling Point: 322.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000286 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever 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-/m0/s1
(3)InChIKey:AKVIZYGPJIWKOS-IUCAKERBBU
(4)Std. InChI: InChI=1S/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-/m0/s1
(5)Std. InChIKey: AKVIZYGPJIWKOS-IUCAKERBSA-N

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