Aurore Life Sciences

CAS 84449-81-0

Chemistry, 1 End Use API, 26 Related Intermediates

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Also known as: 84449-81-0, 4-(2-(1-piperidino)ethoxy)benzoic acid hcl, Schembl226627, Whkjlxlfqnxnnr-uhfffaoysa-n, Benzoyl chloride, 4-[2-(1-piperidinyl)ethoxy]-, hydrochloride, Mfcd03425388

Molecular Formula

C₁₄H₁₉Cl₂NO₂

Molecular Weight

304.2 g/mol

InChI Key

WHKJLXLFQNXNNR-UHFFFAOYSA-N

1 2D Structure

CAS 84449-81-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(2-piperidin-1-ylethoxy)benzoyl chloride;hydrochloride

2.1.2 InChI

InChI=1S/C14H18ClNO2.ClH/c15-14(17)12-4-6-13(7-5-12)18-11-10-16-8-2-1-3-9-16;/h4-7H,1-3,8-11H2;1H

2.1.3 InChI Key

WHKJLXLFQNXNNR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 84449-81-0

2. 4-(2-(1-piperidino)ethoxy)benzoic Acid Hcl

3. Schembl226627

4. Whkjlxlfqnxnnr-uhfffaoysa-n

5. Benzoyl Chloride, 4-[2-(1-piperidinyl)ethoxy]-, Hydrochloride

6. Mfcd03425388

7. Mfcd09907602

8. At22331

9. Sy308933

10. 4-(2-piperidinoethoxy)benzoyl Chloride, Hydrochloride

11. 4-(2-piperidin-1-ylethoxy)benzoyl Chloride;hydrochloride

12. 4-[2-(1-piperidyl)ethoxy]benzoyl Chloride Hydrochloride

13. 4-(2-piperidin-1-yl-ethoxy)-benzoyl Chloride Hydrochloride

14. 4-(2-piperidine-1-ylethoxy)benzoyl Chloride Hydrochloride

15. 4-(2-(piperidin-1-yl)ethoxy)benzoyl Chloride Hydrochloride

2.3 Create Date

2007-06-18

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉Cl₂NO₂
Molecular Weight	304.2 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	29.5
Heavy Atom Count	19
Formal Charge	0
Complexity	259
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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4-(2-Piperidinyl)Ethoxy)Benzoic Acid Hydrochloride

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CAS Number

84449-80-9

End Use API

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in deliveri...

Aurore Life Sciences is a pure-play API manufacturer with a diverse portfolio of capabilities in delivering efficiencies to generic players globally. Founded in 2017 by a team with vast experience across the pharmaceutical value chain, the company is on a mission to become the most preferred partner for pharmaceuticals. At Aurore, we aim to push the boundaries to manufacture and deliver high quality products that can be relied upon by both customers and regulators. Our thrust on rapidly adding capabilities have led us to acquire, integrate and expand our reach across the geographies.

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