N-Tetradecylguanidine--hydrogen chloride (1/1)

CAS Number: 19098-08-9
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CCCCCCCCCCCCCCNC(N)=N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C15H33N3
Molecular Weight
255.448
Drug-likeness
-15.574
CAS
19098-08-9
InChI key
RDVHHVOTQIQHQO-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCNC(N)=N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 19098-08-9
Molecule Name N-Tetradecylguanidine--hydrogen chloride (1/1)
Molecular Formula HCl.C15H33N3
SMILES CCCCCCCCCCCCCCNC(N)=N.Cl
InChI InChI=1S/C15H33N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;/h2-14H2,1H3,(H4,16,17,18);1H
InChI Key RDVHHVOTQIQHQO-UHFFFAOYSA-N
CanonicalSyTyLFy dd539e94a6b04800
TotalMolweight 291.909
Molecular Weight 255.448
MonoisotopicMass 255.267447
CLogP 4.4922
CLogS -3.434
H Acceptors 3
H Donors 3
TotalSurfaceArea 244.93
Relative PSA 0.17282
PolarSurfaceArea 61.9
Drug-likeness -15.574
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.94444
Molecula Flexibility 0.5612
Molecular Complexity 0.35499
Fragments 2
Non HAtoms 18
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 13
Sp3Atoms 14
BasicNitrogens 1

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