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2-Ethyl-N-methylaniline

CAT: 0926-BAA82138-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-BAA82138-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1821-38-1
MDL Number
MFCD03030394
Smiles
CCC1=CC=CC=C1NC
Molecular Formula
C9H13N
Molecular Weight
135.21 g/mol
Controlled
No

Chemical Information

2-ethyl-N-methylaniline
CAS Number1821-38-1
PubChem CID6427075
IUPAC Name2-ethyl-N-methylaniline
Molecular FormulaC9H13N
Molecular Weight135.21
XLogP2.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity90
SMILES
CCC1=CC=CC=C1NC
InChI
InChI=1S/C9H13N/c1-3-8-6-4-5-7-9(8)10-2/h4-7,10H,3H2,1-2H3
InChIKey
CCYRVFJDASAJTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-ethyl-N-methylaniline
CAS: 1821-38-1
CID: 6427075
Formula: C9H13N
MW: 135.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.21
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass135.104799419
Monoisotopic Mass135.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count10
Formal Charge0
Complexity90.7
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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