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CAS 683221-00-3 manufacturers and suppliers on PharmaCompass

PharmaCompass
3-Amino-3-(3-trifluoromethyl-phenyl)-propan-1-ol
Also known as: 683221-00-3, 3-amino-3-(3-trifluoromethyl-phenyl)-propan-1-ol, 3-amino-3-[3-(trifluoromethyl)phenyl]-1-propanol, Bionet2_001406, Schembl381257, Hms1367p20
Molecular Formula
C10H12F3NO
Molecular Weight
219.20  g/mol
InChI Key
AITWXNLDCLFQPJ-UHFFFAOYSA-N

1 2D Structure

3-Amino-3-(3-trifluoromethyl-phenyl)-propan-1-ol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-amino-3-[3-(trifluoromethyl)phenyl]propan-1-ol
2.1.2 InChI
InChI=1S/C10H12F3NO/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15/h1-3,6,9,15H,4-5,14H2
2.1.3 InChI Key
AITWXNLDCLFQPJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(CCO)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 683221-00-3

2. 3-amino-3-(3-trifluoromethyl-phenyl)-propan-1-ol

3. 3-amino-3-[3-(trifluoromethyl)phenyl]-1-propanol

4. Bionet2_001406

5. Schembl381257

6. Hms1367p20

7. Mfcd03412708

8. Akos011675178

9. Cs-0238934

10. Sr-01000306981

11. 10w-0861

12. Sr-01000306981-1

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 219.20 g/mol
Molecular Formula C10H12F3NO
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass219.08709849 g/mol
Monoisotopic Mass219.08709849 g/mol
Topological Polar Surface Area46.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag France
Digital Content Digital Content
URL Supplier Web Content
82572-04-1
Minakem is a fully integrated development partner and commercial manufacturer for pharma companies. With ...
Minakem is a fully integrated development partner and commercial manufacturer for pharma companies. With around 70 years of experience, Minakem is a technology-driven company with expertise in complex multi-step synthesis, pressure chemistry, chiral synthesis, halogenation chemistry, steroid chemistry and prazole chemistry. It offers custom development & manufacturing, API manufacturing and the production of key intermediates. Minakem has 3 USFDA-approved development and manufacturing sites in France and Belgium. Minakem is an affiliate of the Minafin Group and has access to all technologies, resources, and capabilities.
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