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Home> Hot Product Listed 3   > 3-Ethyl-3-methoxy-1-pentyne
328-38-1 structure

3-Ethyl-3-methoxy-1-pentyne

Iupac Name:(2R)-2-amino-4-methylpentanoic acid
CAS No.:328-38-1
Molecular Weight:131.175
Molecular Formula:C11H22N2 (isomer)
Names and Identifiers
Synonyms

1,1-Diethyl-2-propynyl(methyl) ether

Inchi
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1
InChkey
ROHFNLRQFUQHCH-RXMQYKEDSA-N
Canonical Smiles
CC(C)CC(C(=O)O)N
Isomers Smiles
CC(C)C[C@@H](C(=O)O)N
Properties
Melting Point
> 300 C
Boiling Point
458.2°C at 760 mmHg
Refractive Index
-15 ° (C=4, 6mol/L HCl)
Flash Point
146.8°C
Alpha
-15.45 o (C=4, 6N HCL)
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
22-24/25-36-26
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 328-38-1 EC: 3-Ethyl-3-methoxy-1-pentyne ·ECHA C&L Inventory for CAS: CAS: 328-38-1 EC: 3-Ethyl-3-methoxy-1-pentyne
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:131.175g/mol
  • Molecular Formula:C11H22N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.5
  • Exact Mass:131.095
  • Monoisotopic Mass:131.095
  • Complexity:101
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.3A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQCCABAAgAI AACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAACIAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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