Basic information
- Standard SMILES
CC(=O)C(CC(C)C)CN(C)C- InChIKey
QCDJYGZCMGEQNF-UHFFFAOYSA-N- Molecular formula
- C10H21NO
- Average molar mass
- 171.28 g/mol
- Monoisotopic mass
- 171.16231429
Names & identifiers
- Preferred name
- 3-((Dimethylamino)methyl)-5-methyl-2-hexanone
- IUPAC
- 3-[(dimethylamino)methyl]-5-methylhexan-2-one
- English name
- 3-(N,N-Dimethylaminomethyl)-5-methyl-2-hexanone
- Molecular formula
- C10H21NO
- Molecular weight
- 171.28
Names & synonyms
91342-74-4ABF5VHY44N3-[(Dimethylamino)methyl]-5-methyl-2-hexanone3-((Dimethylamino)methyl)-5-methyl-2-hexanone2-Hexanone, 3-((dimethylamino)methyl)-5-methyl-2-Hexanone, 3-[(dimethylamino)methyl]-5-methyl-RefChem:1066332618-734-03-((Dimethylamino)methyl)-5-methylhexan-2-one3-[(dimethylamino)methyl]-5-methylhexan-2-oneMFCD226838813-(dimethylaminomethyl)-5-methyl-2-hexanone
Show more names
3-(N,N-DIMETHYLAMINOMETHYL)-5-METHYL-2-HEXANONE OXALATETetrabenazine Impurity 1Benzoicacid,3,8-bis(phenylmethoxy)-3-((Dimethylamino)methyl)-5-methylhexan-2-one - [D71956]
3-(n,n-dimethylaminomethyl)-5-methyl-2-hexanoneTetrabenazine Impurity 73-[(dimethylamino)methyl]-5-methyl-hexan-2-one3-dimethylaminomethyl-5-methyl-hexan-2-one3-((Dimethylamino)methyl)-5-methyl-hexan-2-oneUNII-ABF5VHY44N3-[(Dimethyamino) methyl]-5-methyl-2- hexanoneSCHEMBL234393
Database identifiers
- CAS
91342-74-4- PubChem CID
- 53419039
- DTXSID
DTXSID50697484- UNII
- ABF5VHY44N
- EC Number
- 618-734-0
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 220 ℃ · 220℃
- Density
- 0.861 · 0.861
- Flash point
- 61 ℃ · 61℃
- storage temp.
- 2 · 2-8°C
- pka
- 8.89 · 8.89±0.28(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C10H21NO/c1-8(2)6-10(9(3)12)7-11(4)5/h8,10H,6-7H2,1-5H3
- InChIKey
- QCDJYGZCMGEQNF-UHFFFAOYSA-N
- SMILES
- CC(=O)C(CN(C)C)CC(C)C
- FDA UNII
- 5 VHY44N · ABF5VHY44N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers50 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
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上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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湖北威德利化学科技有限公司027-83991130 18627774460 · [email protected]
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Related reactions
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