CAS No.512-15-2,CYCLOPENTOLATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	512-15-2
Name:	CYCLOPENTOLATE

Formula:	C₁₇H₂₅NO₃
Molecular Weight:	291.39
Synonyms:	Cyclopentaneaceticacid, 1-hydroxy-α-phenyl-,2-(dimethylamino)ethyl ester (6CI,7CI,8CI);1-Hydroxy-α-phenylcyclopentaneacetic acid,2-(dimethylamino)ethyl ester;2-Dimethylaminoethyl 1-hydroxy-α-phenylcyclopentaneacetate;Cyclogyl;Cyclopentolate;Cyclopentylate;DL-Cyclopentolate;β-Dimethylaminoethyl(1-hydroxycyclopentyl)phenylacetate;Mydrilate;
EINECS:	208-136-4
Density:	1.136 g/cm³
Boiling Point:	409.7 °C at 760 mmHg
Flash Point:	201.5 °C
PSA:	49.77000
LogP:	2.18010

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Specification

The Benzeneacetic acid, α-(1-hydroxycyclopentyl)-,2-(dimethylamino)ethyl ester, with the CAS registry number 512-15-2, is also known as Cyclopentolate. Its EINECS number is 208-136-4. This chemical's molecular formula is C₁₇H₂₅NO₃ and molecular weight is 291.39. What's more, its systematic name is 2-(Dimethylamino)ethyl (1-hydroxycyclopentyl)(phenyl)acetate. Its classification codes are: Autonomic Agents; Cholinergic Agents; Cholinergic Antagonists; Muscarinic antagonists;Mydriatics; Neurotransmitter Agents; Parasympatholytics; Peripheral Nervous System Agents.

Physical properties of Benzeneacetic acid, α-(1-hydroxycyclopentyl)-,2-(dimethylamino)ethyl ester are: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 1.74; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.67; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 85.47; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 38.77 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 82.38 cm³; (15)Molar Volume: 256.4 cm³; (16)Polarizability: 32.65×10^-24cm³; (17)Surface Tension: 46.6 dyne/cm; (18)Density: 1.136 g/cm³; (19)Flash Point: 201.5 °C; (20)Enthalpy of Vaporization: 69.79 kJ/mol; (21)Boiling Point: 409.7 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCCN(C)C)C(c1ccccc1)C2(O)CCCC2
(2)InChI: InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
(3)InChIKey: SKYSRIRYMSLOIN-UHFFFAOYSA-N