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4-Ethyl-Benzeneethanamine

CAT: 0926-FE139111-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FE139111-01Size:1 g
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CAS Number
64353-29-3
MDL Number
MFCD00079757
Smiles
CCC1=CC=C (C=C1) CCN
Molecular Formula
C10H16N
Molecular Weight
150.24 g/mol
Controlled
Yes

Chemical Information

4-Ethylphenethylamine
CAS Number64353-29-3
PubChem CID144047
IUPAC Name2-(4-ethylphenyl)ethanamine
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity93
SMILES
CCC1=CC=C(C=C1)CCN
InChI
InChI=1S/C10H15N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8,11H2,1H3
InChIKey
XLJAVPNHXCHBPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Ethylphenethylamine
CAS: 64353-29-3
CID: 144047
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity93
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