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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals  /  Organic Intermediates  /  Vitamins, Amino Acids and Coenzymes
Tall oil fatty acids, dimethylaminoethanol salt structure
Tall oil fatty acids, dimethylaminoethanol salt structure

Tall oil fatty acids, dimethylaminoethanol salt

Iupac Name:4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
CAS No.:28783-41-7
Molecular Weight:175.679
1. Names and Identifiers
1.1 Name
Tall oil fatty acids, dimethylaminoethanol salt
1.2 Synonyms

Fatty acids, tall-oil, compds. with 2-(dimethylamino)ethanol

1.3 CAS No.
28783-41-7
1.4 CID
10176342
1.5 Inchi
InChI=1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H
1.6 InChkey
QMXCTKPNQFJZGK-UHFFFAOYSA-N
1.7 Canonical Smiles
C1CNCC2=C1SC=C2.Cl
1.8 Isomers Smiles
C1CNCC2=C1SC=C2.Cl
2. Properties
3.1 Melting point
212-215°C
3.1 Vapour pressure
0.0331mmHg at 25°C
3.1 Precise Quality
175.02200
3.1 PSA
40.27000
3.1 logP
2.52460
3. Safety and Handling
4.1 Risk Statements
36/37/38
4.1 Hazard Class
IRRITANT
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

5. Computational chemical data
  • Molecular Weight:175.679g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:175.0222482
  • Monoisotopic Mass:175.0222482
  • Complexity:105
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.3
  • Heavy Atom Count:10
  • 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:2
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