Ethan(~15~N)amine--hydrogen chloride (1/1)

CAS Number: 84051-02-5
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CC[15NH2].Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C2H7N
Molecular Weight
46.0777
Drug-likeness
-2
CAS
84051-02-5
InChI key
XWBDWHCCBGMXKG-FJUFCODESA-N
SMILES
CC[15NH2].Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 84051-02-5
Molecule Name Ethan(~15~N)amine--hydrogen chloride (1/1)
Molecular Formula HCl.C2H7N
SMILES CC[15NH2].Cl
InChI InChI=1S/C2H7N.ClH/c1-2-3;/h2-3H2,1H3;1H/i3+1;
InChI Key XWBDWHCCBGMXKG-FJUFCODESA-N
CanonicalSyTyLFy b1d8afbe5df8fd3
TotalMolweight 82.5386
Molecular Weight 46.0777
MonoisotopicMass 46.0548839
CLogP -0.3473
CLogS -0.553
H Acceptors 1
H Donors 1
TotalSurfaceArea 48.04
Relative PSA 0.31786
PolarSurfaceArea 26.02
Drug-likeness -2
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 1
Fragments 2
Non HAtoms 3
NonCHAtoms 1
Electronegative Atoms 1
Sp3Atoms 3
Amines 1
AlkylAmines 1
BasicNitrogens 1

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