3-chloropropylazanium chloride

C3H9Cl2N — CID 10877148

IUPAC3-chloropropylazanium chloride
SMILES[Cl-].[NH3+]CCCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyIHPRVZKJZGXTBQ-UHFFFAOYSA-N
MW130.02 g/mol
LogP-3.14
Rot. Bonds2

About 3-chloropropylazanium chloride

3-chloropropylazanium chloride (PubChem CID 10877148) has the molecular formula C3H9Cl2N and a molecular weight of 130.02 g/mol. Its IUPAC name is 3-chloropropylazanium chloride.

Molecular Properties

Compound Name3-chloropropylazanium chloride
PubChem CID10877148
Molecular FormulaC3H9Cl2N
Molecular Weight130.02 g/mol
Exact Mass129.01
IUPAC Name3-chloropropylazanium chloride
SMILES[Cl-].[NH3+]CCCCl
InChIInChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKeyIHPRVZKJZGXTBQ-UHFFFAOYSA-N
XLogP-3.14
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.02
LogP ≤ 5-3.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Chloroethylamine hydrochloride
CID 9793737
1-Propanamine, 3-chloro-, hydrochloride
CID 11469095
2-Chloroethylammonium chloride
CID 13368
3-Chloropropylamine
CID 84629
4-Chlorobutan-1-amine hydrochloride
CID 19075906
3-Chloro-2-methylpropan-1-amine hydrochloride
CID 86126331
(2R)-2-chloropropan-1-amine hydrochloride
CID 177800879
2-Chloropropan-1-amine
CID 145856
3,3-Dichloropropan-1-amine
CID 18970102
1-Chloropropyl amine hydrochloride
CID 20205730
1-Amino-2-chlorobutane hydrochloride
CID 20403571
(s)-1-Chloropropylamine hydrochloride
CID 137374710

Frequently Asked Questions

What is the IUPAC name of 3-chloropropylazanium chloride?
The IUPAC name of 3-chloropropylazanium chloride (CID 10877148) is 3-chloropropylazanium chloride.
What is the SMILES notation for 3-chloropropylazanium chloride?
The canonical SMILES for 3-chloropropylazanium chloride is [Cl-].[NH3+]CCCCl.
What is the InChIKey of 3-chloropropylazanium chloride?
The InChIKey is IHPRVZKJZGXTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClN.ClH/c4-2-1-3-5;/h1-3,5H2;1H.
What are the key properties of 3-chloropropylazanium chloride?
3-chloropropylazanium chloride has a molecular weight of 130.02 g/mol, XLogP of -3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropylazanium chloride is sourced from PubChem (CID 10877148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).