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(4-Chlorophenyl) (phenyl) methanamine

CAT: 0926-FAA26739Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FAA26739Size:10 g
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CAS Number
5267-39-0
MDL Number
MFCD00044488
Smiles
C1=CC=C (C=C1) C (C2=CC=C (C=C2) Cl) N.Cl
Molecular Formula
C13H12ClN
Molecular Weight
217.7 g/mol
Controlled
No

Chemical Information

4-Chlorobenzhydrylamine hydrochloride
CAS Number5267-39-0
PubChem CID16219096
IUPAC Name(4-chlorophenyl)-phenylmethanamine;hydrochloride
Molecular FormulaC13H13Cl2N
Molecular Weight254.15
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity181
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKey
UHPRBUXOILBKFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorobenzhydrylamine hydrochloride
CAS: 5267-39-0
CID: 16219096
Formula: C13H13Cl2N
MW: 254.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight254.15
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass253.0425048
Monoisotopic Mass253.0425048
Topological Polar Surface Area26 Ų
Heavy Atom Count16
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes