4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine

C15H19N3O2 — CID 144734736

IUPAC4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H12N2.C7H7NO2/c1-10(2)8-5-3-7(9)4-6-8;8-6-3-1-5(2-4-6)7(9)10/h3-6H,9H2,1-2H3;1-4H,8H2,(H,9,10)
InChIKeyZNUNDNKUJPRKBH-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.30
Rot. Bonds2

About 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine

4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 144734736) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID144734736
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)cc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H12N2.C7H7NO2/c1-10(2)8-5-3-7(9)4-6-8;8-6-3-1-5(2-4-6)7(9)10/h3-6H,9H2,1-2H3;1-4H,8H2,(H,9,10)
InChIKeyZNUNDNKUJPRKBH-UHFFFAOYSA-N
XLogP2.30
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
4-(dimethylamino)benzoic acid;ethanamine
CID 159433676
4-aminobenzoic acid;hydrofluoride
CID 159690577
2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
CID 174923896
bis(4-aminobenzoic acid);ethene
CID 158776608
4-(dimethylamino)benzoic acid;ethoxyethane
CID 69006892
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
N'-(4-aminobenzoyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108527902
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine (CID 144734736) is 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)cc1.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is ZNUNDNKUJPRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H7NO2/c1-10(2)8-5-3-7(9)4-6-8;8-6-3-1-5(2-4-6)7(9)10/h3-6H,9H2,1-2H3;1-4H,8H2,(H,9,10).
What are the key properties of 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine?
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 273.34 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 144734736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).