1-N-Cbz-3-Methylpiperidine-3-carboxylic acid supplier

Name
1-N-Cbz-3-Methylpiperidine-3-carboxylic acid
EINECS
CAS No. 174543-78-3
Article Data3
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₉NO₄
Boiling Point 440.3 °C at 760 mmHg
Molecular Weight 277.32
Flash Point 220.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid;1-[(Benzyloxy)carbonyl]-3-methylpiperidine-3-carboxylic acid;
PSA 66.84000
LogP 2.44780

1-N-Cbz-3-Methylpiperidine-3-carboxylic acid Specification

The 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid with the CAS number 174543-78-3 is also called 1,3-Piperidinedicarboxylicacid, 3-methyl-, 1-(phenylmethyl) ester. The systematic name is 1-benzyloxycarbonyl-3-methyl-piperidine-3-carboxylic acid. Its molecular formula is C₁₅H₁₉NO₄. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-N-Cbz-3-Methylpiperidine-3-carboxylic acid are: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/BCF (pH 5.5): 2.86; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 37.87; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 66.84 Å²; (12)Index of Refraction: 1.555; (13)Molar Refractivity: 72.78 cm³; (14)Molar Volume: 226.5 cm³; (15)Polarizability: 28.85×10^-24cm³; (16)Surface Tension: 50.9 dyne/cm; (17)Enthalpy of Vaporization: 73.51 kJ/mol; (18)Vapour Pressure: 1.57×10^-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CCCN(C1)C(=O)OCc2ccccc2)C(=O)O
(2)InChI: InChI=1/C15H19NO4/c1-15(13(17)18)8-5-9-16(11-15)14(19)20-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,18)
(3)InChIKey: VTRVUNGMWPPWGP-UHFFFAOYAV

Product Name

1-N-Cbz-3-Methylpiperidine-3-carboxylic acid

1-N-Cbz-3-Methylpiperidine-3-carboxylic acid Specification

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