Molecule:100505: Difference between revisions

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molecule
(auto-generated)
Tag: Reverted
(auto-generated)
Tag: Reverted
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|cas=121-44-8
|cas=121-44-8
|hasVendors=
|hasVendors=
|moleculeKey=CKPHTUFEGVEMOQ-UHFFFAOYSA-N
|moleculeKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-01042416432D
   -INDIGO-01042416522D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 18: Line 18:
M  V30 COUNTS 7 6 0 0 0
M  V30 COUNTS 7 6 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 S 9.05997 -6.33177 0.0 0
M  V30 1 N 9.05997 -6.33177 0.0 0
M  V30 2 C 8.35579 -5.63333 0.0 0
M  V30 2 C 8.35579 -5.63333 0.0 0
M  V30 3 C 7.39895 -5.89012 0.0 0
M  V30 3 C 7.39895 -5.89012 0.0 0
Line 36: Line 36:
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=S(CC)(CC)CC
 
|inchi=1S/C6H15S/c1-4-7(5-2)6-3/h4-6H2,1-3H3
|smiles=N(CC)(CC)CC
|inchikey=CKPHTUFEGVEMOQ-UHFFFAOYSA-N
|inchi=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
|inchikey=ZMANZCXQSJIPKH-UHFFFAOYSA-N
|width=200
|width=200
|height=200
|height=200

Revision as of 16:53, 4 January 2024

Properties
CID 8471
CAS 121-44-8
IUPAC-Name n,n-diethylethanamine
Abbreviation TEA
Trivialname triethylamine
Exact mass 120.097271512
Molecular formula C6H16S
LogP 1.4
Has vendors n/a
Molecular role n/a
Synonyms n/a

TEA


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