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3399-73-3

3399-73-3 | 2-(1-Cyclohexenyl)Ethylamine

CAS No: 3399-73-3 Catalog No: AG00328K MDL No:MFCD00012058

Product Description

Catalog Number:
AG00328K
Chemical Name:
2-(1-Cyclohexenyl)Ethylamine
CAS Number:
3399-73-3
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
MDL Number:
MFCD00012058
IUPAC Name:
2-(cyclohexen-1-yl)ethanamine
InChI:
InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2
InChI Key:
IUDMXOOVKMKODN-UHFFFAOYSA-N
SMILES:
NCCC1=CCCCC1
EC Number:
222-267-4
NSC Number:
26453

Properties

Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
Vibrational spectroscopic study on some Hofmann type clathrates: M(2-(1-cyclohexenyl)ethylamine)2Ni(CN)4·2benzene (M=Ni and Cd). Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110701
Vibrational spectroscopic investigations of some Hofmann-T(d)-type complexes: Ni(2-(1-cyclohexenyl)ethylamine)(2)M(CN)(4) (M=Cd or Hg). Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100901
FT-IR and NMR investigation of 2-(1-cyclohexenyl)ethylamine: a combined experimental and theoretical study. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070901
Poly[bis[2-(1-cyclohexenyl)ethylammonium] di-mu-iodo-diodoplumbate(II)]. Acta crystallographica. Section C, Crystal structure communications 20060701

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