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CAS No.: | 122860-33-7 |
---|---|
Name: | 1-Cbz-4-hydroxymethylpiperidine |
Article Data: | 25 |
Molecular Structure: | |
Formula: | C14H19NO3 |
Molecular Weight: | 249.31 |
Synonyms: | 4-Hydroxymethylpiperidine-1-carboxylicacid benzyl ester;Benzyl 4-(hydroxymethyl)-tetrahydro-1(2H)-pyridinecarboxylate;N-(Benzyloxycarbonyl)-4-(hydroxymethyl)piperidine;Phenylmethyl 4-(hydroxymethyl)-1-piperidinecarboxylate;1-Cbz-4-hydroxymethylpiperidine; |
Density: | 1.163 g/cm3 |
Boiling Point: | 396.374 °C at 760 mmHg |
Flash Point: | 193.52 °C |
Appearance: | Brown Liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 49.77000 |
LogP: | 1.96540 |
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The 1-Cbz-4-hydroxymethylpiperidine, with the CAS registry number 122860-33-7, is also known as Phenylmethyl 4-(hydroxymethyl)-1-piperidinecarboxylate. It belongs to the product categories of Alcohols and Derivatives; Amines and Anilines; Pharmacetical; Piperidine. This chemical's molecular formula is C14H19NO3 and molecular weight is 249.31. What's more, its systematic name is Benzyl 4-(hydroxymethyl)-1-piperidinecarboxylate.
Physical properties of 1-Cbz-4-hydroxymethylpiperidine are: (1)ACD/LogP: 1.856; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 15.15; (6)ACD/BCF (pH 7.4): 15.15; (7)ACD/KOC (pH 5.5): 243.54; (8)ACD/KOC (pH 7.4): 243.54; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 68.292 cm3; (15)Molar Volume: 214.402 cm3; (16)Polarizability: 27.073×10-24cm3; (17)Surface Tension: 47.0 dyne/cm; (18)Density: 1.163 g/cm3; (19)Flash Point: 193.52 °C; (20)Enthalpy of Vaporization: 68.198 kJ/mol; (21)Boiling Point: 396.374 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemcial is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC(CO)CC2
(2)Std. InChI: InChI=1S/C14H19NO3/c16-10-12-6-8-15(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12,16H,6-11H2
(3)Std. InChIKey: LINIORCIRVAZSM-UHFFFAOYSA-N