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[ (3-chlorophenyl) methyl]dimethylamine

CAT: 0127-OR957029Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR957029Size:1 g
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CAS Number
15184-97-1
MDL Number
MFCD05124183
Purity
95%
Smiles
CN(C)Cc1cccc(Cl)c1

Chemical Information

3-Chloro-N,N-dimethylbenzenemethanamine
CAS Number15184-97-1
PubChem CID12617447
IUPAC Name1-(3-chlorophenyl)-N,N-dimethylmethanamine
Molecular FormulaC9H12ClN
Molecular Weight169.65
XLogP2.7
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity114
SMILES
CN(C)CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7H2,1-2H3
InChIKey
NMCHMNHSIHVTDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-N,N-dimethylbenzenemethanamine
CAS: 15184-97-1
CID: 12617447
Formula: C9H12ClN
MW: 169.65
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.65
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass169.0658271
Monoisotopic Mass169.0658271
Topological Polar Surface Area3.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity114
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes