(2R)-Nonan-2-amine

CAS Number: 74069-74-2
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CCCCCCC[C@@H](C)N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C9H21N
Molecular Weight
143.273
Drug-likeness
-21.5
CAS
74069-74-2
InChI key
ALXIFCUEJWCQQL-SECBINFHSA-N
SMILES
CCCCCCC[C@@H](C)N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 74069-74-2
Molecule Name (2R)-Nonan-2-amine
Molecular Formula C9H21N
SMILES CCCCCCC[C@@H](C)N
InChI InChI=1S/C9H21N/c1-3-4-5-6-7-8-9(2)10/h9H,3-8,10H2,1-2H3/t9-/m1/s1
InChI Key ALXIFCUEJWCQQL-SECBINFHSA-N
CanonicalSyTyLFy 3a5a479488d83baa
TotalMolweight 143.273
Molecular Weight 143.273
MonoisotopicMass 143.167399
CLogP 2.7384
CLogS -2.551
H Acceptors 1
H Donors 1
TotalSurfaceArea 141.6
Relative PSA 0.10784
PolarSurfaceArea 26.02
Drug-likeness -21.5
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.9
Molecula Flexibility 0.52384
Molecular Complexity 0.48648
Fragments 1
Non HAtoms 10
NonCHAtoms 1
Electronegative Atoms 1
StereoCenters 1
Rotatable Bond 6
Sp3Atoms 10
Amines 1
AlkylAmines 1
BasicNitrogens 1
StereoCon this enantiomer

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