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2,5-Diethylaniline hydrochloride

CAT: 0926-EEC95216-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-EEC95216-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1354952-16-1
MDL Number
MFCD20731197
Smiles
CCC1=CC (=C (C=C1) CC) N.Cl
Molecular Formula
C10H16ClN
Molecular Weight
185.69 g/mol
Controlled
No

Chemical Information

2,5-Diethylaniline hydrochloride
CAS Number1354952-16-1
PubChem CID56828086
IUPAC Name2,5-diethylaniline;hydrochloride
Molecular FormulaC10H16ClN
Molecular Weight185.69
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity111
SMILES
CCC1=CC(=C(C=C1)CC)N.Cl
InChI
InChI=1S/C10H15N.ClH/c1-3-8-5-6-9(4-2)10(11)7-8;/h5-7H,3-4,11H2,1-2H3;1H
InChIKey
GAOASLAGBQAOIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Diethylaniline hydrochloride
CAS: 1354952-16-1
CID: 56828086
Formula: C10H16ClN
MW: 185.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass185.0971272
Monoisotopic Mass185.0971272
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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