(1Z)-N',2-Dimethylpropanimidamide

CAS Number: 75878-08-9
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CC(C)/C(/N)=N/C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H12N2
Molecular Weight
100.164
Drug-likeness
-4.2338
CAS
75878-08-9
InChI key
IIBCGCUGEKIFBY-UHFFFAOYSA-N
SMILES
CC(C)/C(/N)=N/C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 75878-08-9
Molecule Name (1Z)-N',2-Dimethylpropanimidamide
Molecular Formula C5H12N2
SMILES CC(C)/C(/N)=N/C
InChI InChI=1S/C5H12N2/c1-4(2)5(6)7-3/h4H,1-3H3,(H2,6,7)
InChI Key IIBCGCUGEKIFBY-UHFFFAOYSA-N
CanonicalSyTyLFy 84d2b0c6d1f319e2
TotalMolweight 100.164
Molecular Weight 100.164
MonoisotopicMass 100.100048
CLogP 0.1022
CLogS -1.021
H Acceptors 2
H Donors 1
TotalSurfaceArea 94.27
Relative PSA 0.28408
PolarSurfaceArea 38.38
Drug-likeness -4.2338
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.51756
Molecular Complexity 0.59725
Fragments 1
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Sp3Atoms 4
Symmetricatoms 1
BasicNitrogens 1

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