3-(Diethylamino)-2,2-dimethylpropan-1-ol

HCID 295965

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Basic information

CAS: 39067-45-3
Standard SMILES: CCN(CC)CC(C)(C)CO
InChIKey: YOWSYKCRNIREGL-UHFFFAOYSA-N
Molecular formula: C9H21NO
Average molar mass: 159.27 g/mol
Monoisotopic mass: 159.16231429

Names & identifiers

Preferred name: 3-(Diethylamino)-2,2-dimethylpropan-1-ol
IUPAC: 3-(diethylamino)-2,2-dimethylpropan-1-ol
English name: 3-(DIETHYLAMINO)-2,2-DIMETHYLPROPAN-1-OL
Molecular formula: C9H21NO
Molecular weight: 159.27

Names & synonyms

3-(diethylamino)-2,2-dimethylpropan-1-ol39067-45-3DTXSID10304405RefChem:1067047DTXCID40255537MFCD000857103-(diethylamino)-2,2-dimethylpropanol3-(Diethylamino)-2,2-dimethyl-1-propanol3-(Diethylamino)-2,2-dimethyl-propan-1-ol3-(Diethylamino)-2,2-dimethyl-1-propanol; NSC 1656363-Diethylamino-2,2-Dimethyl-1-PropanolNSC165636

Show more names

NSC 165636

1-Propanol,3-(diethylamino)-2,2-dimethyl-SCHEMBL9648677SCHEMBL9877506YOWSYKCRNIREGL-UHFFFAOYSA-NPBA067453-diethylamino-2,2 dimethylpropanol3-diethylamino-2,2-dimethylpropanolAKOS011554838

Database identifiers

CAS: 39067-45-3
PubChem CID: 295965
DTXSID: DTXSID10304405
EC Number: 806-009-3

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Boiling point: 227 ℃ · 227℃
Density: 0.875 · 0.875
refractive index: 1.4414 · 1.4414
Flash point: 74 ℃ · 74℃
storage temp.: 2 · 2-8°C
solubility: Dichloromethane, Methanol
form: Colorless Liquid
pka: 15.02 · 15.02±0.10(Predicted)
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
HS Code: 2922190090 · 2922190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2922190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses3-(Diethylamino)-2,2-dimethylpropanol is a reactant used in the preparation of herbicides, several local anesthetics and histamine H3 receptor antagonists.