1-(2,2,3,3-Tetramethylcyclopropyl)methanamine--hydrogen chloride (1/1)

CAS Number: 67358-15-0
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CC1(C)C(C)(C)C1CN.Cl
Molecule Information
Mutagenic: none Tumorigenic: high Irritant: high
Formula
HCl.C8H17N
Molecular Weight
127.23
Drug-likeness
-7.8473
CAS
67358-15-0
InChI key
TZEXNFFUFLKVIV-UHFFFAOYSA-N
SMILES
CC1(C)C(C)(C)C1CN.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 67358-15-0
Molecule Name 1-(2,2,3,3-Tetramethylcyclopropyl)methanamine--hydrogen chloride (1/1)
Molecular Formula HCl.C8H17N
SMILES CC1(C)C(C)(C)C1CN.Cl
InChI InChI=1S/C8H17N.ClH/c1-7(2)6(5-9)8(7,3)4;/h6H,5,9H2,1-4H3;1H
InChI Key TZEXNFFUFLKVIV-UHFFFAOYSA-N
CanonicalSyTyLFy 392586fde1e672da
TotalMolweight 163.691
Molecular Weight 127.23
MonoisotopicMass 127.136099
CLogP 1.1724
CLogS -1.743
H Acceptors 1
H Donors 1
TotalSurfaceArea 104.64
Relative PSA 0.14593
PolarSurfaceArea 26.02
Drug-likeness -7.8473
Mutagenic none
Tumorigenic high
Reproductive Effective none
Irritant high
Shape Index 0.55556
Molecula Flexibility 0.39143
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Symmetricatoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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