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CAS 328933-65-9

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Also known as: 328933-65-9, (4-(2-(azepan-1-yl)ethoxy)phenyl)methanol-hcl, Benzenemethanol, 4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]- (hydrochloride), [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride, 4-(2-azepan-1-ylethoxy)benzyl alcohol hydrochloride, Jsylwpoycpgsbj-uhfffaoysa-n

Molecular Formula

C₁₅H₂₄ClNO₂

Molecular Weight

285.81 g/mol

InChI Key

JSYLWPOYCPGSBJ-UHFFFAOYSA-N

1 2D Structure

CAS 328933-65-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride

2.1.2 InChI

InChI=1S/C15H23NO2.ClH/c17-13-14-5-7-15(8-6-14)18-12-11-16-9-3-1-2-4-10-16;/h5-8,17H,1-4,9-13H2;1H

2.1.3 InChI Key

JSYLWPOYCPGSBJ-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. (none)

2.2.2 Depositor-Supplied Synonyms

1. 328933-65-9

2. (4-(2-(azepan-1-yl)ethoxy)phenyl)methanol-hcl

3. Benzenemethanol, 4-[2-(hexahydro-1h-azepin-1-yl)ethoxy]- (hydrochloride)

4. [4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride

5. 4-(2-azepan-1-ylethoxy)benzyl Alcohol Hydrochloride

6. Jsylwpoycpgsbj-uhfffaoysa-n

7. Bcp14167

8. Cs-m2773

9. Mfcd28155271

10. Akos027340039

11. Cs-14811

12. Db-128484

13. F13024

14. (4-(2-(azepan-1-yl)ethoxy)phenyl)methanolhydrochloride

2.3 Create Date

2014-10-10

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₄ClNO₂
Molecular Weight	285.81 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	32.7
Heavy Atom Count	19
Formal Charge	0
Complexity	207
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