Molecule:100615: Difference between revisions

InChI
InChI-Key	JGFZNNIVVJXRND-UHFFFAOYSA-N
SMILES

Properties
CID	81531
CAS	7087-68-5
IUPAC-Name	n-ethyl-n-propan-2-yl-propan-2-amine
Abbreviation	DIPEA
Trivialname	nn-diisopropylethylamine
Exact mass	129.151749610
Molecular formula	C8H19N
LogP	n/a
Has vendors	true
Molecular role	n/a
Synonyms	nn-diisopropylethylamine,ethyldiisopropylamine,diisopropylethylamine,n-ethyldiisopropylamine,diea,dipea,n-ethyl-n-isopropylpropan-2-amine,hunig's base,2-propanamine n-ethyl-n-(1-methylethyl)-,11'-dimethyltriethylamine

Revision as of 09:28, 3 May 2023

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@@ Line 11: / Line 11: @@
 |moleculeKey=JGFZNNIVVJXRND-UHFFFAOYSA-N
 |molOrRxn=
-  -INDIGO-12132211432D
+|smiles=
+|inchi=
-  0  0  0  0  0  0  0  0  0  0 V3000
-M  V30 BEGIN CTAB
-M  V30 COUNTS 9 8 0 0 0
-M  V30 BEGIN ATOM
-M  V30 1 N 10.1998 -5.92554 0.0 0
-M  V30 2 C 10.4587 -6.89118 0.0 0
-M  V30 3 C 9.75188 -7.59828 0.0 0
-M  V30 4 C 9.23403 -5.66667 0.0 0
-M  V30 5 C 8.97539 -4.70042 0.0 0
-M  V30 6 C 8.5271 -6.37351 0.0 0
-M  V30 7 C 10.9071 -5.21832 0.0 0
-M  V30 8 C 11.8733 -5.47693 0.0 0
-M  V30 9 C 10.6485 -4.25212 0.0 0
-M  V30 END ATOM
-M  V30 BEGIN BOND
-M  V30 1 1 1 2
-M  V30 2 1 2 3
-M  V30 3 1 1 4
-M  V30 4 1 4 5
-M  V30 5 1 4 6
-M  V30 6 1 1 7
-M  V30 7 1 7 8
-M  V30 8 1 7 9
-M  V30 END BOND
-M  V30 END CTAB
-M  END
-|smiles=N(C(C)C)(C(C)C)CC
-|inchi=1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
 |inchikey=JGFZNNIVVJXRND-UHFFFAOYSA-N
 |width=300px