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14958-13-5 | 1,3-Butadien-1-amine, N,N-diethyl-
CAS No: 14958-13-5 Catalog No: AG001LUN MDL No:
Product Description
Catalog Number:
AG001LUN
Chemical Name:
1,3-Butadien-1-amine, N,N-diethyl-
CAS Number:
14958-13-5
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
N,N-diethylbuta-1,3-dien-1-amine
InChI:
InChI=1S/C8H15N/c1-4-7-8-9(5-2)6-3/h4,7-8H,1,5-6H2,2-3H3
InChI Key:
HUNXXGIRNGEBFU-UHFFFAOYSA-N
SMILES:
CCN(C=CC=C)CC
Properties
Complexity:
90.7
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:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Unexpected formation of 1-diethylaminobutadiene in photosensitized oxidation of triethylamine induced by 2,3-dihydro-oxoisoaporphine dyes. A 1H NMR and isotopic exchange study. | The Journal of organic chemistry 20051028 |
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