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Also known as: 163837-57-8, (r)-(4-chlorophenyl)-phenylmethanamine, Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-, Impurity gl-1, Schembl588409, R666ah9n3z
Molecular Formula
C13H12ClN
Molecular Weight
217.69  g/mol
InChI Key
XAFODXGEQUOEKN-CYBMUJFWSA-N
FDA UNII
R666AH9N3Z

CAS 163837-57-8
1 2D Structure

CAS 163837-57-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(R)-(4-chlorophenyl)-phenylmethanamine
2.1.2 InChI
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m1/s1
2.1.3 InChI Key
XAFODXGEQUOEKN-CYBMUJFWSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)N
2.2 Other Identifiers
2.2.1 UNII
R666AH9N3Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 163837-57-8

2. (r)-(4-chlorophenyl)-phenylmethanamine

3. Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-

4. Impurity Gl-1

5. Schembl588409

6. R666ah9n3z

7. [(r)-4-chlorobenzhydryl]amine

8. Zinc155170

9. Mfcd12068384

10. (r)-(4-chlorophenyl)phenylmethanamine

11. Akos015888722

12. (-)-alpha-(4-chlorophenyl)benzylamine

13. Bs-50951

14. (r)-(4-chloro-phenyl)-phenyl-methylamine

15. Y12435

16. (-)-((4-chlorophenyl)phenylmethyl)amine

17. Benzenemethanamine, 4-chloro-.alpha.-phenyl-, (.alpha.r)-

2.4 Create Date
2005-07-08
3 Chemical and Physical Properties
Molecular Weight 217.69 g/mol
Molecular Formula C13H12ClN
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass217.0658271 g/mol
Monoisotopic Mass217.0658271 g/mol
Topological Polar Surface Area26 Ų
Heavy Atom Count15
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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