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6-Azabicyclo[3.2.1]octan-3-one,8-hydroxy-7-[(1R)-1-hydroxyethyl]-, (1R,5R,7R,8R)- structure
6-Azabicyclo[3.2.1]octan-3-one,8-hydroxy-7-[(1R)-1-hydroxyethyl]-, (1R,5R,7R,8R)- structure

6-Azabicyclo[3.2.1]octan-3-one,8-hydroxy-7-[(1R)-1-hydroxyethyl]-, (1R,5R,7R,8R)-

Iupac Name:oxomagnesium
CAS No.: 1309-48-4
Molecular Weight:40.3044
Modify Date.: 2022-04-05 23:57
1. Names and Identifiers
1.1 Name
6-Azabicyclo[3.2.1]octan-3-one,8-hydroxy-7-[(1R)-1-hydroxyethyl]-, (1R,5R,7R,8R)-
1.2 Synonyms

Actinobolamine (8CI)

1.3 CAS No.
1309-48-4
1.4 CID
14792
1.5 Molecular Formula
C10H17ClO (isomer)
1.6 Inchi
InChI=1S/Mg.O
1.7 InChkey
CPLXHLVBOLITMK-UHFFFAOYSA-N
1.8 Canonical Smiles
O=[Mg]
1.9 Isomers Smiles
O=[Mg]
2. Properties
3.1 Melting point
2852℃
3.1 Boiling point
383.9°Cat760mmHg
3.1 Refractive index
1.736
3.1 Vapour pressure
0 mm Hg (approx) (NIOSH, 2016)
3.1 Precise Quality
39.98000
3.1 PSA
17.07000
3.1 logP
-0.11880
3. Safety and Handling
4.1 Risk Statements
R20/22
4.1 Safety Statements
S24/25
4.1 Packing Group
III
4.1 Hazard Class
8
4.1 RIDADR
UN 1418
4.1 WGK Germany
1
4.1 RTECS
OM3850000
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: 40.3044g/mol
  • Molecular Formula: C10H17ClO
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 39.9799563
  • Monoisotopic Mass: 39.9799563
  • Complexity: 2
  • Rotatable Bond Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Topological Polar Surface Area: 17.1
  • Heavy Atom Count: 2
  • 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
  • CACTVS Substructure Key Fingerprint: AAADcQAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
8. Realated Product Infomation