Basic information
- CAS
227199-09-9- Standard SMILES
Cc1cccc(C(C)C)c1N(C)C- InChIKey
XTYKPEMLMDLYKC-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 2-Isopropyl-N,N,6-trimethylaniline
- IUPAC
- N,N,2-trimethyl-6-propan-2-ylaniline
- English name
- 2-ISOPROPYL-N,N,6-TRIMETHYLANILINE
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
2-Isopropyl-N,N,6-trimethylaniline227199-09-9N,N,2-trimethyl-6-propan-2-ylanilineMFCD01313354N,N,2-trimethyl-6-(propan-2-yl)anilineBenzenamine,N,N,2-trimethyl-6-(1-methylethyl)-SCHEMBL7194598SCHEMBL31587768DTXSID703715372-isopropyl-N,N,6-trimethyl-anilineAKOS025294945PS-8568
Show more names
N,N,2-Trimethyl-6-(1-methylethyl)benzenamineBenzenamine, N,N,2-trimethyl-6-(1-methylethyl)-2-(Prop-2-yl)-N,N,6-trimethylaniline, 2-(Dimethylamino)-3-methylcumene
SB75701DB-025904CS-0320657
Database identifiers
- CAS
227199-09-9- PubChem CID
- 2736697
- DTXSID
DTXSID70371537
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 102 · 102/12mm
- Density
- 0.914 · 0.914±0.06 g/cm3(Predicted)
- pka
- 6.12 · 6.12±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2921420090 · 2921420090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P280
Chemistry & industry
Suppliers12 total
Ryan Scientific, Inc.[email protected]
A.J Chemicals[email protected]
COMBI-BLOCKS[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
SYNQUEST[email protected]
MAYBR-INT—
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
MOLEKULA[email protected]
Service Chemical Inc.[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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