2-((Dimethylamino)methyl)cyclohexanone

HCID 85838

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Basic information

CAS: 15409-60-6
Standard SMILES: CN(C)CC1CCCCC1=O
InChIKey: QDHLEFBSGUGHCL-UHFFFAOYSA-N
Molecular formula: C9H17NO
Average molar mass: 155.24 g/mol
Monoisotopic mass: 155.13101416

Names & identifiers

Preferred name: 2-((Dimethylamino)methyl)cyclohexanone
IUPAC: 2-[(dimethylamino)methyl]cyclohexan-1-one
English name: 2-[(dimethylamino)methyl]cyclohexan-1-one
Molecular formula: C9H17NO
Molecular weight: 155.24

Names & synonyms

15409-60-62-((Dimethylamino)methyl)cyclohexanone2-[(Dimethylamino)methyl]cyclohexanoneCyclohexanone, 2-[(dimethylamino)methyl]-2-(N,N-Dimethylaminomethyl)cyclohexanoneUNII-2K361MJ2WZ2K361MJ2WZEINECS 239-422-72-((Dimethylamino)methyl)cyclohexanone, (2RS)-NSC-222825Cyclohexanone, 2-((dimethylamino)methyl)-(2rs)-2-((dimethylamino)methyl)cyclohexanone

Show more names

Tramadol Impurity E (Y0000157)dimethylaminomethyl cyclohexanone2-(Dimethylamino)methylcyclohexanone2-(BisMethyl)aMinoMethylcyclohexanone2-(DIMETHYLAMINOMETHYL)-1-CYCLOHEXANONECyclohexanone,2-[(diMethylaMino)Methyl]-2-((DIMETHYLAMINO)METHYL)CYCLOHEXANONE(WXG01629)2-[(N,N-DIMETHYLAMINO)METHYL]-CYCLOHEXANONE HYDROCHLORIDE

NSC 222825TRAMADOL HYDROCHLORIDE IMPURITY E [EP IMPURITY]TRAMADOL HYDROCHLORIDE IMPURITY E (EP IMPURITY)RefChem:83751239-422-7QDHLEFBSGUGHCL-UHFFFAOYSA-N2-[(dimethylamino)methyl]cyclohexan-1-one2-((Dimethylamino)methyl)cyclohexan-1-one

Database identifiers

CAS: 15409-60-6
PubChem CID: 85838
DTXSID: DTXSID801283556
ChEMBL: CHEMBL1617601
UNII: 2K361MJ2WZ
EC Number: 239-422-7
Nikkaji: J122.128K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 148 · 148-150 °C
Boiling point: 222 ℃ · 222℃
Density: 0.944 · 0.944
refractive index: 1.4672 · 1.4672
Flash point: 70 ℃ · 70℃
storage temp.: 2 · 2-8°C
pka: 8.83 · 8.83±0.28(Predicted)
Appearance: Colorless to light yellow Liquid
FDA UNII: 2 K361MJ2WZ · 2K361MJ2WZ
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 25-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25654

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
REACH Registrations: Active
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-(Bismethyl)aminomethylcyclohexanone is an intermediate in the synthesis of O-Desmethyl Tramadol Hydrochloride (D294750), an optically active metabolite of Tramadol.