(1-ethylpyrrolidin-2-yl)methanol

CAS Number: 3433-34-9
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CCN1C(CO)CCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H15NO
Molecular Weight
129.202
Drug-likeness
1.6718
CAS
3433-34-9
InChI key
GHQCZUMSSZNLJP-SSDOTTSWSA-N
SMILES
CCN1C(CO)CCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 3433-34-9
Molecule Name (1-ethylpyrrolidin-2-yl)methanol
Molecular Formula C7H15NO
SMILES CCN1C(CO)CCC1
InChI InChI=1S/C7H15NO/c1-2-8-5-3-4-7(8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
InChI Key GHQCZUMSSZNLJP-SSDOTTSWSA-N
CanonicalSyTyLFy 6f67bf4ae65c2660
TotalMolweight 129.202
Molecular Weight 129.202
MonoisotopicMass 129.115364
CLogP 0.4597
CLogS -0.664
H Acceptors 2
H Donors 1
TotalSurfaceArea 110.21
Relative PSA 0.15108
PolarSurfaceArea 23.47
Drug-likeness 1.6718
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.47112
Molecular Complexity 0.7083
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 2
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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