4-Piperidinecarboxylicacid, 4-phenyl- supplier

Name
4-PHENYL-4-PIPERIDINE CARBOXYLIC ACID
EINECS 222-844-0
CAS No. 3627-45-0
Article Data12
CAS DataBase
Density 1.157 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅NO₂
Boiling Point 374.9 °C at 760 mmHg
Molecular Weight 205.257
Flash Point 180.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isonipecoticacid, 4-phenyl- (7CI,8CI);4-Carboxy-4-phenylpiperidine;4-Phenyl-4-piperidinecarboxylic acid;N-Demethylmeperidinic acid;Normeperidinic acid;Norpethidinic acid;
PSA 49.33000
LogP 1.72120

4-Piperidinecarboxylicacid, 4-phenyl- Specification

The 4-Piperidinecarboxylicacid, 4-phenyl- is an organic compound with the formula C₁₂H₁₅NO₂. The IUPAC name of this chemical is 4-phenylpiperidine-4-carboxylic acid. With the CAS registry number 3627-45-0, it is also named as 4-Phenyl-4-piperidine carboxylic acid. The product's category is Pharmacetical.

Physical properties about 4-Piperidinecarboxylicacid, 4-phenyl- are: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): -1.01; (3)ACD/LogD (pH 7.4): -1.01; (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; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 29.54 Å²; (12)Index of Refraction: 1.554; (13)Molar Refractivity: 56.86 cm³; (14)Molar Volume: 177.3 cm³; (15)Polarizability: 22.54×10^-24cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.157 g/cm³; (18)Flash Point: 180.5 °C; (19)Enthalpy of Vaporization: 65.66 kJ/mol; (20)Boiling Point: 374.9 °C at 760 mmHg; (21)Vapour Pressure: 2.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C2(c1ccccc1)CCNCC2
(2)InChI: InChI=1/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
(3)InChIKey: DZZGGKPKWGPNJA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H15NO2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
(5)Std. InChIKey: DZZGGKPKWGPNJA-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	89mg/kg (89mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12027,

Product Name

4-PHENYL-4-PIPERIDINE CARBOXYLIC ACID

4-Piperidinecarboxylicacid, 4-phenyl- Specification

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