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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Basic Organic Chemicals  /  Organic Intermediate  /  Others  /  Pharmaceutical
Phenol,4-[2-[[2-hydroxy-3-[(3-methoxy-2-pyridinyl)oxy]propyl]amino]ethyl]- structure
Phenol,4-[2-[[2-hydroxy-3-[(3-methoxy-2-pyridinyl)oxy]propyl]amino]ethyl]- structure

Phenol,4-[2-[[2-hydroxy-3-[(3-methoxy-2-pyridinyl)oxy]propyl]amino]ethyl]-

Iupac Name:(3S,4R)-3,4,5-trihydroxypentanal
CAS No.:533-67-5
Molecular Weight:134.13
1. Names and Identifiers
1.1 Name
Phenol,4-[2-[[2-hydroxy-3-[(3-methoxy-2-pyridinyl)oxy]propyl]amino]ethyl]-
1.2 CAS No.
533-67-5
1.3 CID
5460005
1.4 Molecular Formula
C18H25NO7 (isomer)
1.5 Inchi
InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5+/m0/s1
1.6 InChkey
ASJSAQIRZKANQN-CRCLSJGQSA-N
1.7 Canonical Smiles
C(C=O)C(C(CO)O)O
1.8 Isomers Smiles
C(C=O)[C@@H]([C@@H](CO)O)O
2. Properties
3.1 Melting point
89-90?°C(lit.)
3.1 Refractive index
-56 ° (C=1, H2O)
3.1 Vapour pressure
2.53E-07mmHg at 25°C
3.1 Precise Quality
134.05800
3.1 PSA
69.92000
3.1 logP
-1.55310
3. Safety and Handling
4.1 Risk Statements
20/21/22-36/37/38
4.1 Safety Statements
24/25-37/39-36-26
4.1 RIDADR
20kgs
4.1 WGK Germany
3
4.1 RTECS
SB7230000
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:134.13g/mol
  • Molecular Formula:C18H25NO7
  • Compound Is Canonicalized:True
  • XLogP3-AA:_2.3
  • Exact Mass:134.05790880
  • Monoisotopic Mass:134.05790880
  • Complexity:83
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:77.8
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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