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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Vitamins, Amino Acids and Coenzymes  /  Organic Intermediate  /  Others  /  Organic Intermediates
[5-(2-Aminoethoxy)-1,3-dihydro-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]methanone structure
[5-(2-Aminoethoxy)-1,3-dihydro-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]methanone structure

[5-(2-Aminoethoxy)-1,3-dihydro-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]methanone

Iupac Name:(2R)-2-aminobutanedioic acid
CAS No.:1783-96-6
Molecular Weight:133.10268
1. Names and Identifiers
1.1 Name
[5-(2-Aminoethoxy)-1,3-dihydro-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]methanone
1.2 Synonyms

[5-(2-Aminoethoxy)-1,3-dihydroisoindol-2-yl](2,4-dihydroxy-5-isopropylphenyl)methanone 1H-Isoindole, 5-(2-aminoethoxy)-2-[2,4-dihydroxy-5-(1-methylethyl)benzoyl]-2,3-dihydro- Methanone, [5-(2-aminoethoxy)-1,3-dihydro-2H-isoindol-2-yl][2,4-dihydroxy-5-(1-methylethyl)phenyl]-

1.3 CAS No.
1783-96-6
1.4 CID
83887
1.5 Molecular Formula
C17H25NO5 (isomer)
1.6 Inchi
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m1/s1
1.7 InChkey
CKLJMWTZIZZHCS-UWTATZPHSA-N
1.8 Canonical Smiles
C(C(C(=O)O)N)C(=O)O
1.9 Isomers Smiles
C([C@H](C(=O)O)N)C(=O)O
2. Properties
3.1 Melting point
300℃
3.1 Refractive index
-25 ° (C=8, 50% HCl)
3.1 Precise Quality
133.03800
3.1 PSA
100.62000
3.1 logP
-0.42670
3. Safety and Handling
4.1 Risk Statements
R20/21/22
4.1 Safety Statements
S24/25
4.1 RIDADR
25kgs
4.1 WGK Germany
3
4.1 RTECS
CI9097500
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:133.10268g/mol
  • Molecular Formula:C17H25NO5
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:133.03750770
  • Monoisotopic Mass:133.03750770
  • Complexity:133
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:101
  • 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
6. Question & Answer
  • Aspartic acid is a type of amino acid, chemicals typically used as building blocks for protein. D-aspartic acid, is not used to make protein but is used in other body functions. D-aspartic acid may increase testosterone in inactive men or those with low testosterone. However, it has not been shown ...
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