Molecule:100615: Difference between revisions

InChI	1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChI-Key	JGFZNNIVVJXRND-UHFFFAOYSA-N
SMILES	N(C(C)C)(C(C)C)CC

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 09:34, 3 May 2023

‎

Click here to copy MOL-file.

Click here to show SMILES and InChI.

‎

topic

publication

investigation

other

@@ Line 11: / Line 11: @@
 |moleculeKey=JGFZNNIVVJXRND-UHFFFAOYSA-N
 |molOrRxn=
-|smiles=
+  -INDIGO-12132211432D
-|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