[amino-(4-chlorophenyl)methylidene]azanium chloride

C7H8Cl2N2 — CID 10888750

IUPAC[amino-(4-chlorophenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyRXAOGVQDNBYURA-UHFFFAOYSA-N
MW191.06 g/mol
LogP-3.19
Rot. Bonds1

About [amino-(4-chlorophenyl)methylidene]azanium chloride

[amino-(4-chlorophenyl)methylidene]azanium chloride (PubChem CID 10888750) has the molecular formula C7H8Cl2N2 and a molecular weight of 191.06 g/mol. Its IUPAC name is [amino-(4-chlorophenyl)methylidene]azanium chloride.

Molecular Properties

Compound Name[amino-(4-chlorophenyl)methylidene]azanium chloride
PubChem CID10888750
Molecular FormulaC7H8Cl2N2
Molecular Weight191.06 g/mol
Exact Mass190.01
IUPAC Name[amino-(4-chlorophenyl)methylidene]azanium chloride
SMILESNC(=[NH2+])c1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyRXAOGVQDNBYURA-UHFFFAOYSA-N
XLogP-3.19
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 5-3.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
[amino-(4-aminophenyl)methylidene]azanium
CID 3289295
1-(4-chlorophenyl)ethenamine
CID 122642948
4-chloro(13C)benzoic acid
CID 66995527
1-chloro-4-[(E)-1,2-dichloro-2-(4-chlorophenyl)ethenyl]benzene
CID 13114440
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
actinium;1-(4-chlorophenyl)ethenol
CID 22892784
2-(4-chlorobenzoyl)pyridine-4-carbothioamide
CID 5372484
2-amino-1-(4-chlorophenyl)ethanone;hydrochloride
CID 2798211
1-chloro-4-[(3Z)-penta-1,3-dien-3-yl]benzene
CID 58174508
4-chloro-N'-(4-chlorophenyl)benzenecarboximidamide
CID 11737167

Frequently Asked Questions

What is the IUPAC name of [amino-(4-chlorophenyl)methylidene]azanium chloride?
The IUPAC name of [amino-(4-chlorophenyl)methylidene]azanium chloride (CID 10888750) is [amino-(4-chlorophenyl)methylidene]azanium chloride.
What is the SMILES notation for [amino-(4-chlorophenyl)methylidene]azanium chloride?
The canonical SMILES for [amino-(4-chlorophenyl)methylidene]azanium chloride is NC(=[NH2+])c1ccc(Cl)cc1.[Cl-].
What is the InChIKey of [amino-(4-chlorophenyl)methylidene]azanium chloride?
The InChIKey is RXAOGVQDNBYURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of [amino-(4-chlorophenyl)methylidene]azanium chloride?
[amino-(4-chlorophenyl)methylidene]azanium chloride has a molecular weight of 191.06 g/mol, XLogP of -3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(4-chlorophenyl)methylidene]azanium chloride is sourced from PubChem (CID 10888750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).