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ACTIVE PHARMA INGREDIENTS

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Also known as: 1639210-26-6, C3mp7rfb9n, Schembl16274382, 3-(2-fluoroethyl)adamantan-1-amine, Akos040756961, Da-53257

Molecular Formula

C₁₂H₂₀FN

Molecular Weight

197.29 g/mol

InChI Key

HUYVZSFADWYSHD-UHFFFAOYSA-N

FDA UNII

C3MP7RFB9N

1 2D Structure

Fluoroethylnormemantine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(2-fluoroethyl)adamantan-1-amine

2.1.2 InChI

InChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2

2.1.3 InChI Key

HUYVZSFADWYSHD-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

C3MP7RFB9N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1639210-26-6

2. C3mp7rfb9n

3. Schembl16274382

4. 3-(2-fluoroethyl)adamantan-1-amine

5. Akos040756961

6. Da-53257

7. Hy-139048

8. Cs-0179210

9. 3-(2-fluoroethyl)tricyclo[3.3.1.13,7]decan-1-amine

2.4 Create Date

2015-01-12

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₀FN
Molecular Weight	197.29 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	26
Heavy Atom Count	14
Formal Charge	0
Complexity	237
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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