N-Cbz-4-aminocyclohexanol supplier

Name
N-CBZ-4-HYDROXYCYCLOHEXANE
EINECS
CAS No. 16801-62-0
Article Data8
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 161-165 °C
Formula C₁₄H₁₉NO₃
Boiling Point 427.6 °C at 760 mmHg
Molecular Weight 249.31
Flash Point 212.4 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Cyclohexanecarbamicacid, 4-hydroxy-, benzyl ester (8CI);4-(Benzyloxycarbonylamino)cyclohexanol;Benzyl 4-hydroxycyclohexylcarbamate;
PSA 58.56000
LogP 2.60720

N-Cbz-4-aminocyclohexanol Specification

The Carbamic acid,(4-hydroxycyclohexyl)-, phenylmethyl ester (9CI), with CAS registry number 16801-62-0, belongs to the following product category: N-CBZ. It has the systematic name of benzyl (4-hydroxycyclohexyl)carbamate. This chemical is harmful if swallowed. And the chemical formula of this chemical is C₁₄H₁₉NO₃.

Physical properties of Carbamic acid,(4-hydroxycyclohexyl)-, phenylmethyl ester (9CI): (1)ACD/LogP: 2.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 22.52; (6)ACD/BCF (pH 7.4): 22.52; (7)ACD/KOC (pH 5.5): 323.42; (8)ACD/KOC (pH 7.4): 323.41; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 68.75 cm³; (15)Molar Volume: 212.3 cm³; (16)Polarizability: 27.25×10^-24cm³; (17)Surface Tension: 48.8 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 212.4 °C; (20)Enthalpy of Vaporization: 71.96 kJ/mol; (21)Boiling Point: 427.6 °C at 760 mmHg; (22)Vapour Pressure: 4.51E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)NC2CCC(O)CC2
(2)InChI: InChI=1/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
(3)InChIKey: JNPBKQOVSMBPGE-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C14H19NO3/c16-13-8-6-12(7-9-13)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)
(5)Std. InChIKey: JNPBKQOVSMBPGE-UHFFFAOYSA-N

Product Name

N-CBZ-4-HYDROXYCYCLOHEXANE

N-Cbz-4-aminocyclohexanol Specification

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