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2-(1-Cyclohexenyl)ethylamine

CAT: 0572-TRC-C991470-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C991470-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3399-73-3
Synonyms
1-Cyclohexene-1-ethylamine; 1-(2-Aminoethyl)cyclohexene; 1-Cyclohexen-1-ylethylamine; 2-(1-Cyclohexen-1-yl)ethylamine; 2-(1-Cyclohexenyl)ethanamine; Cyclohexenylethylamine; NSC 26453
Hazard Statement
Flammable liquid and vapour; UN number: UN2734; Packing Group: II
Smiles
NCCC1=CCCCC1
Molecular Formula
C8H15N
Molecular Weight
125.21
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

2-(1-Cyclohexenyl)ethylamine

structure in first source

CAS Number3399-73-3
PubChem CID76938
IUPAC Name2-(cyclohexen-1-yl)ethanamine
Molecular FormulaC8H15N
Molecular Weight125.21
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
C1CCC(=CC1)CCN
InChI
InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
InChIKey
IUDMXOOVKMKODN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(1-Cyclohexenyl)ethylamine
CAS: 3399-73-3
CID: 76938
Formula: C8H15N
MW: 125.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight125.21
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass125.120449483
Monoisotopic Mass125.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
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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412952-012- (1-Cyclohexenyl) ethylamine
RG-A261975-012- (1-Cyclohexenyl) Glycined
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C307352- (1-Cyclohexenyl) cyclohexanone 95%
sc-2246331-Cyclohexenyl trifluoromethanesulfonate
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