2-(Azepan-1-ylmethyl)phenol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H19NO
Molecular Weight	205.2961
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(Azepan-1-ylmethyl)phenol

Structure Search

SMILES

OC1=C(CN2CCCCCC2)C=CC=C1

InChI

InChIKey=XZDFNUXKMYALTN-UHFFFAOYSA-N

InChI=1S/C13H19NO/c15-13-8-4-3-7-12(13)11-14-9-5-1-2-6-10-14/h3-4,7-8,15H,1-2,5-6,9-11H2

HIDE SMILES / InChI

Molecular Formula	C13H19NO
Molecular Weight	205.2961
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:32:57 GMT 2023` Edited by `admin` on `Sat Dec 16 12:32:57 GMT 2023`
Record UNII	WMP5857TSH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(Azepan-1-ylmethyl)phenol

Systematic Name

English

2-((HEXAHYDRO-1H-AZEPIN-1-YL)METHYL)PHENOL

Systematic Name

English

Phenol, 2-[(hexahydro-1H-azepin-1-yl)methyl]-

Systematic Name

English

2-(Hexamethyleneiminomethyl)phenol

Systematic Name

English

o-Cresol, α-(hexahydro-1H-azepin-1-yl)-

Common Name

English

Code System Code Type Description

FDA UNII

WMP5857TSH

Created by admin on Sat Dec 16 12:32:57 GMT 2023 , Edited by admin on Sat Dec 16 12:32:57 GMT 2023

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ECHA (EC/EINECS)

225-654-6

Created by admin on Sat Dec 16 12:32:57 GMT 2023 , Edited by admin on Sat Dec 16 12:32:57 GMT 2023

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PUBCHEM

5021985

Created by admin on Sat Dec 16 12:32:57 GMT 2023 , Edited by admin on Sat Dec 16 12:32:57 GMT 2023

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EPA CompTox

DTXSID60198154

Created by admin on Sat Dec 16 12:32:57 GMT 2023 , Edited by admin on Sat Dec 16 12:32:57 GMT 2023

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CAS

4992-04-5

Created by admin on Sat Dec 16 12:32:57 GMT 2023 , Edited by admin on Sat Dec 16 12:32:57 GMT 2023

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