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2D Structure

Diallylamine


  • SKU Code: CH137662
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Chemical Name - Diallylamine
Mol Weight - 97.1603
Smiles - C=CCNCC=C
Property Name Property Value
Mol NameDiallylamine
Molweight97.1603
Monoisotopic Mass97.089149
Clogp0.9483
Clogs-1.187
H Acceptors1
H Donors1
Total Surface Area101.56
Relative Psa0.11284
Polar Surface Area12.03
Druglikeness-2.7875
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index1
Molecular Flexibility0.7123
Molecular Complexity0.3662
Fragments1
Non H Atoms7
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds4
Sp3 Atoms3
Symmetric Atoms3
Amines1
Alkyl Amines1
Basic Nitrogens1
SmilesC=CCNCC=C
InChIKeyInChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIDYUWTXWIYMHBQS-UHFFFAOYSA-N

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