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2,6-Dichlorobenzylamine

CAT: 0013-GTR19250668-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250668-01Size:2 g
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Description
2,6-Dichlorobenzylamine
CAS Number
6575-27-5
Product Name Alternative
Compound PDK0323
Smiles
NCC1=C (Cl) C=CC=C1Cl
Molecular Formula
C14H14O
Molecular Weight
198.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenemethanamine, 2,6-dichloro-
CAS Number6575-27-5
PubChem CID485432
IUPAC Name(2,6-dichlorophenyl)methanamine
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C(=C1)Cl)CN)Cl
InChI
InChI=1S/C7H7Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey
VLVLNNQMURDGPM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanamine, 2,6-dichloro-
CAS: 6575-27-5
CID: 485432
Formula: C7H7Cl2N
MW: 176.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.04
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass174.9955546
Monoisotopic Mass174.9955546
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.8
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

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