Basic information
- CAS
42036-65-7- Standard SMILES
CN(C)CC1CCCCC1=O.Cl- InChIKey
CLVHTSWMNNSUSH-UHFFFAOYSA-N- Molecular formula
- C9H18ClNO
- Average molar mass
- 191.7 g/mol
- Monoisotopic mass
- 191.1076919
Names & identifiers
- Preferred name
- 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
- IUPAC
- 2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride
- English name
- 2-(Dimethylaminomethyl)-1-cyclohexanone hydrochloride
- Molecular formula
- C9H18ClNO
- Molecular weight
- 191.7
Names & synonyms
42036-65-72-(Dimethylaminomethyl)-1-cyclohexanone hydrochlorideNSC-12467NSC-6204619UU6LE6AUCDimethyl((2-oxocyclohexyl)methyl)ammonium chloride2-((Dimethylamino)methyl)cyclohexanone hydrochloride, (2RS)-Cyclohexanone, 2-((dimethylamino)methyl)-, hydrochloride (1:1)EC 700-355-8Cyclohexanone, 2-[(dimethylamino)methyl]-, hydrochloride (1:1)RefChem:460825700-355-8
Show more names
Tramadol EP Impurity ENSC 12467NSC 620461Tramadol Impurity E HClTraMadol Related CoMpound BTraMadol Hydrochloride IMpurity-E(EP)Tramadol stg-I mannich HCL EP imp-E RC-B2-(DIMETHYLAMINOMETHYL) CYCLOHEXANONE HCL2-(Dimethylaminomethyl)-1-cyclohexanoneHCl
2-((Dimethylamino)methyl)cyclohexanone hydrochlorideMFCD001025802-(Bismethyl)aminomethylcyclohexanone Hydrochloride2-((Dimethylamino)methyl)cyclohexan-1-one hydrochloride2-Dimethylaminomethyl cyclohexanone hclTramadol EP Impurity E HCl2-[(dimethylamino)methyl]cyclohexan-1-one;hydrochloride2-[(dimethylamino)methyl]cyclohexan-1-one hydrochloride
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
Solubility>28.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 147 · 147-151 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- color
- White
- Water Solubility
- soluble
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C9H17NO.ClH/c1-10(2)7-8-5-3-4-6-9(8)11;/h8H,3-7H2,1-2H3;1H
- InChIKey
- CLVHTSWMNNSUSH-UHFFFAOYSA-N
- SMILES
- C1(CN(C)C)CCCCC1=O.Cl
- CAS DataBase Reference
- 42036 · 42036-65-7(CAS DataBase Reference)
- FDA UNII
- 9 UU6LE6AUC · 9UU6LE6AUC
- UNSPSC Code
- 41116107 · 41116107
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.4% (2 of 45) of reports.
Danger
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: Dimethyl((2-oxocyclohexyl)methyl)ammonium chloride (EC: 700-355-8)
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)
Safety data
- wgk
- WGK 3
- hs_code
- 29223900
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P305+P351+P338+P310
Chemistry & industry
Applications
UsesAn impurity found in Tramadol (T712500).
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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