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2-Ethylbutylamine

CAT: 0572-TRC-E926988-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E926988-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
617-79-8
Hazard Statement
Highly flammable liquid and vapour; UN number: UN2734; Packing Group: II
Smiles
CCC(CC)CN
Molecular Formula
C6 H15 N
Molecular Weight
101.19
InChI
InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
Additionnal Information
IUPAC name: 2-ethylbutan-1-amine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Ethyl butylamine
CAS Number617-79-8
PubChem CID12049
IUPAC Name2-ethylbutan-1-amine
Molecular FormulaC6H15N
Molecular Weight101.19
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count7
Formal Charge0
Complexity31
SMILES
CCC(CC)CN
InChI
InChI=1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
InChIKey
MGWAGIQQTULHGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl butylamine
CAS: 617-79-8
CID: 12049
Formula: C6H15N
MW: 101.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight101.19
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass101.120449483
Monoisotopic Mass101.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count7
Formal Charge0
Complexity31.2
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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