Cyclopropylethanimidamide--hydrogen chloride (1/1)

CAS Number: 21572-79-2
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NC(CC1CC1)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C5H10N2
Molecular Weight
98.1484
Drug-likeness
0.090314
CAS
21572-79-2
InChI key
ZBEXMSIXOAUELM-UHFFFAOYSA-N
SMILES
NC(CC1CC1)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 21572-79-2
Molecule Name Cyclopropylethanimidamide--hydrogen chloride (1/1)
Molecular Formula HCl.C5H10N2
SMILES NC(CC1CC1)=N.Cl
InChI InChI=1S/C5H10N2.ClH/c6-5(7)3-4-1-2-4;/h4H,1-3H2,(H3,6,7);1H
InChI Key ZBEXMSIXOAUELM-UHFFFAOYSA-N
CanonicalSyTyLFy d7aee0e7f928c877
TotalMolweight 134.609
Molecular Weight 98.1484
MonoisotopicMass 98.084398
CLogP -0.3234
CLogS -0.501
H Acceptors 2
H Donors 2
TotalSurfaceArea 82.61
Relative PSA 0.37368
PolarSurfaceArea 49.87
Drug-likeness 0.090314
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.71429
Molecula Flexibility 0.44198
Molecular Complexity 0.64864
Fragments 2
Non HAtoms 7
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 4
Symmetricatoms 1
BasicNitrogens 1

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