2-Cyclopropylmorpholine

CAS Number: 1063734-79-1
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C(C1)C1C1OCCNC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C7H13NO
Molecular Weight
127.186
Drug-likeness
2.3085
CAS
1063734-79-1
InChI key
VOJNVOZYKCIITR-ZETCQYMHSA-N
SMILES
C(C1)C1C1OCCNC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1063734-79-1
Molecule Name 2-Cyclopropylmorpholine
Molecular Formula C7H13NO
SMILES C(C1)C1C1OCCNC1
InChI InChI=1S/C7H13NO/c1-2-6(1)7-5-8-3-4-9-7/h6-8H,1-5H2/t7-/m0/s1
InChI Key VOJNVOZYKCIITR-ZETCQYMHSA-N
CanonicalSyTyLFy bce2fcc9f1a86225
TotalMolweight 127.186
Molecular Weight 127.186
MonoisotopicMass 127.099714
CLogP 0.2233
CLogS -1.13
H Acceptors 2
H Donors 1
TotalSurfaceArea 101.76
Relative PSA 0.21089
PolarSurfaceArea 21.26
Drug-likeness 2.3085
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.66667
Molecula Flexibility 0.18448
Molecular Complexity 0.59915
Fragments 1
Non HAtoms 9
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 1
Rings Closures 2
Small Rings 2
Sp3Atoms 9
Symmetricatoms 1
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon racemate

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