2,3,3-trichloropropan-1-amine;hydrochloride

C3H7Cl4N — CID 175404226

IUPAC2,3,3-trichloropropan-1-amine;hydrochloride
SMILESCl.NCC(Cl)C(Cl)Cl
InChIInChI=1S/C3H6Cl3N.ClH/c4-2(1-7)3(5)6;/h2-3H,1,7H2;1H
InChIKeyJSSDIUISWPKMHH-UHFFFAOYSA-N
MW198.91 g/mol
LogP1.78
Rot. Bonds2

About 2,3,3-trichloropropan-1-amine;hydrochloride

2,3,3-trichloropropan-1-amine;hydrochloride (PubChem CID 175404226) has the molecular formula C3H7Cl4N and a molecular weight of 198.91 g/mol. Its IUPAC name is 2,3,3-trichloropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2,3,3-trichloropropan-1-amine;hydrochloride
PubChem CID175404226
Molecular FormulaC3H7Cl4N
Molecular Weight198.91 g/mol
Exact Mass196.93
IUPAC Name2,3,3-trichloropropan-1-amine;hydrochloride
SMILESCl.NCC(Cl)C(Cl)Cl
InChIInChI=1S/C3H6Cl3N.ClH/c4-2(1-7)3(5)6;/h2-3H,1,7H2;1H
InChIKeyJSSDIUISWPKMHH-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.91
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-2-chloro-1-phosphonopropyl)phosphonic acid
CID 57057992
1,1,2-trichlorobutane
CID 19865249
2-chlorobutane-1,4-diamine
CID 18330832
aminomethyl-dihydroxy-methylphosphanium
CID 6395030
1-chloropropylphosphane;hydrochloride
CID 174764459
(1R,2R)-3-amino-1-(2-amino-1H-imidazol-5-yl)-2-chloropropan-1-ol
CID 6336142
3-(aminomethyl)-1,1-dichloro-4-(dimethylamino)butan-2-ol
CID 90238172
tetrakis(aminomethyl-dihydroxy-methylphosphanium);manganese;tetrahydrate
CID 6395069
2-chloro-N,N-bis(2-chloropropyl)propan-1-amine;hydrochloride
CID 3025277
1-chloro-3-fluoropropan-1-amine
CID 57323075
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloropropan-1-amine;hydrochloride?
The IUPAC name of 2,3,3-trichloropropan-1-amine;hydrochloride (CID 175404226) is 2,3,3-trichloropropan-1-amine;hydrochloride.
What is the SMILES notation for 2,3,3-trichloropropan-1-amine;hydrochloride?
The canonical SMILES for 2,3,3-trichloropropan-1-amine;hydrochloride is Cl.NCC(Cl)C(Cl)Cl.
What is the InChIKey of 2,3,3-trichloropropan-1-amine;hydrochloride?
The InChIKey is JSSDIUISWPKMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl3N.ClH/c4-2(1-7)3(5)6;/h2-3H,1,7H2;1H.
What are the key properties of 2,3,3-trichloropropan-1-amine;hydrochloride?
2,3,3-trichloropropan-1-amine;hydrochloride has a molecular weight of 198.91 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloropropan-1-amine;hydrochloride is sourced from PubChem (CID 175404226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).