2-[Methyl(prop-2-yn-1-yl)amino]ethan-1-ol

HCID 287929

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Basic information

CAS: 13105-72-1
Standard SMILES: C#CCN(C)CCO
InChIKey: FKPAVGPHHCZBEB-UHFFFAOYSA-N
Molecular formula: C6H11NO
Average molar mass: 113.16 g/mol
Monoisotopic mass: 113.08406397

Names & identifiers

Preferred name: 2-[Methyl(prop-2-yn-1-yl)amino]ethan-1-ol
IUPAC: 2-[methyl(prop-2-ynyl)amino]ethanol
English name: Ethanol,2-(methyl-2-propyn-1-ylamino)-
Molecular formula: C6H11NO
Molecular weight: 113.16

Names & synonyms

2-[methyl(prop-2-yn-1-yl)amino]ethan-1-ol2-(Methyl(prop-2-yn-1-yl)amino)ethan-1-olDTXSID50302041RefChem:462717DTXCID00253175845-125-913105-72-1MFCD146314772-[methyl(prop-2-ynyl)amino]ethanolEthanol, 2-(methyl-2-propyn-1-ylamino)-2-[methyl(prop-2-yn-1-yl)amino]ethanol2-(N-methyl-N-prop-2-yn-1-ylamino)ethanol

Show more names

2-(N-methyl-N-(prop-2-ynyl)amino)ethanol2-[METHYL(PROP-2-YN-1-YL)AMINO]ETHAN-1-OL(WXC08392)

NSC148221Ethanol,2-(methyl-2-propyn-1-ylamino)-SCHEMBL667715SCHEMBL4499970FKPAVGPHHCZBEB-UHFFFAOYSA-N2-(N-Methyl-N-propargylamino)ethanolAKOS0052167822-(Methyl-2-propyn-1-ylamino)ethanol

Database identifiers

CAS: 13105-72-1
PubChem CID: 287929
DTXSID: DTXSID50302041
EC Number: 845-125-9

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 91.9

Physicochemical properties

Boiling point: 86 · 86-89 °C(Press: 21 Torr)
Density: 0.974 · 0.974±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 14.61 · 14.61±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H335-H314-H227
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H335-H314-H227
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P210-P280-P370+P378-P403+P235-P501-P264-P270-P301+P312-P330-P501