N-Boc-1,2-Diaminocyclohexane supplier

Name
N-Boc-1,2-Diaminocyclohexane
EINECS
CAS No. 317595-54-3
Article Data6
CAS DataBase
Density 1.02 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₂N₂O₂
Boiling Point 322.1 °C at 760 mmHg
Molecular Weight 214.308
Flash Point 148.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (2-aminocyclohexyl)-, 1,1-dimethylethyl ester (9CI);N-Boc-cyclohexane-1,2-diamine;
PSA 64.35000
LogP 2.87220

N-Boc-1,2-Diaminocyclohexane Specification

This chemical is called N-Boc-1,2-Diaminocyclohexane, and its systematic name is tert-butyl (2-aminocyclohexyl)carbamate. With the molecular formula of C₁₁H₂₂N₂O₂, its molecular weight is 214.30. The CAS registry number of this chemical is 317595-54-3, and its product categories are N-BOC; Pharmacetical.

Other characteristics of the N-Boc-1,2-Diaminocyclohexane can be summarised as followings: (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^-24cm³; (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.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)NC1CCCCC1N
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)
3.InChIKey: AKVIZYGPJIWKOS-UHFFFAOYAT
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)
5.Std. InChIKey: AKVIZYGPJIWKOS-UHFFFAOYSA-N

Product Name

N-Boc-1,2-Diaminocyclohexane

N-Boc-1,2-Diaminocyclohexane Specification

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