acetonitrile;ethanamine;hydrochloride

C4H11ClN2 — CID 159166208

IUPACacetonitrile;ethanamine;hydrochloride
SMILESCC#N.CCN.Cl
InChIInChI=1S/C2H7N.C2H3N.ClH/c2*1-2-3;/h2-3H2,1H3;1H3;1H
InChIKeyKLCILFCENPNVJQ-UHFFFAOYSA-N
MW122.60 g/mol
LogP0.92
Rot. Bonds

About acetonitrile;ethanamine;hydrochloride

acetonitrile;ethanamine;hydrochloride (PubChem CID 159166208) has the molecular formula C4H11ClN2 and a molecular weight of 122.60 g/mol. Its IUPAC name is acetonitrile;ethanamine;hydrochloride.

Molecular Properties

Compound Nameacetonitrile;ethanamine;hydrochloride
PubChem CID159166208
Molecular FormulaC4H11ClN2
Molecular Weight122.60 g/mol
Exact Mass122.06
IUPAC Nameacetonitrile;ethanamine;hydrochloride
SMILESCC#N.CCN.Cl
InChIInChI=1S/C2H7N.C2H3N.ClH/c2*1-2-3;/h2-3H2,1H3;1H3;1H
InChIKeyKLCILFCENPNVJQ-UHFFFAOYSA-N
XLogP0.92
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.60
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88688012
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CID 173031121
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CID 141398921
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CID 175328912
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CID 158129797

Frequently Asked Questions

What is the IUPAC name of acetonitrile;ethanamine;hydrochloride?
The IUPAC name of acetonitrile;ethanamine;hydrochloride (CID 159166208) is acetonitrile;ethanamine;hydrochloride.
What is the SMILES notation for acetonitrile;ethanamine;hydrochloride?
The canonical SMILES for acetonitrile;ethanamine;hydrochloride is CC#N.CCN.Cl.
What is the InChIKey of acetonitrile;ethanamine;hydrochloride?
The InChIKey is KLCILFCENPNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.C2H3N.ClH/c2*1-2-3;/h2-3H2,1H3;1H3;1H.
What are the key properties of acetonitrile;ethanamine;hydrochloride?
acetonitrile;ethanamine;hydrochloride has a molecular weight of 122.60 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;ethanamine;hydrochloride is sourced from PubChem (CID 159166208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).