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

Chemistry, 1 End Use API, 12 Related Intermediates

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1 Suppliers

1 Suppliers

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 Formula	C₁₀H₁₂F₃NO
Molecular Weight	219.20 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	219.08709849 g/mol
Monoisotopic Mass	219.08709849 g/mol
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	196
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

941-98-0

End Use API

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and bus...

DKSH, founded with the goal of improving people's lives, assists businesses with market expansion and business growth in both existing and emerging markets. It has been fostering growth for businesses in Asia and beyond for over 155 years. DKSH operates in 36 markets, is listed on the SIX Swiss Exchange, employs 33,100 specialists, and generated net sales of CHF 11.1 billion in 2021. It is the leading global distributor of innovative pharma ingredients for pharmaceutical synthesis and formulation. It offers a range of products, ranging from animal care products to packaging materials, intermediates to nutraceuticals, and APIs to excipients.