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Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI) structure
Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI) structure

Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI)

Iupac Name:triphenylmethanol
CAS No.:76-84-6
Molecular Weight:260.32974
Modify Date.:2022-02-11
1. Names and Identifiers
1.1 Name
Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI)
1.2 Synonyms

Morpholine, 4-(2-ethoxy-4-pyridinyl)-

1.3 CAS No.
76-84-6
1.4 CID
6457
1.5 Molecular Formula
C8H13NO3 (isomer)
1.6 Inchi
InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H
1.7 InChkey
LZTRCELOJRDYMQ-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
1.9 Isomers Smiles
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
2. Properties
3.1 Melting point
160-164℃
3.1 Refractive index
1.621
3.1 Precise Quality
260.12000
3.1 PSA
20.23000
3.1 logP
3.97080
3.1 pKa
6.74±0.38(Predicted)
3. Safety and Handling
4.1 Risk Statements
R38
4.1 Safety Statements
S22;S24/25
4.1 WGK Germany
3
4. 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

5. Computational chemical data
  • Molecular Weight:260.32974g/mol
  • Molecular Formula:C8H13NO3
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:260.120115130
  • Monoisotopic Mass:260.120115130
  • Complexity:235
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
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