p-Aminobenzamidine
Basic information
- CAS
3858-83-1- Standard SMILES
N=C(N)c1ccc(N)cc1- InChIKey
WPANETAWYGDRLL-UHFFFAOYSA-N- Molecular formula
- C7H9N3
- Average molar mass
- 135.17 g/mol
- Monoisotopic mass
- 135.07964729
Overview
a urokinase inhibitor; inhibits acrosin; structure given in first source
Names & identifiers
- Preferred name
- p-Aminobenzamidine
- IUPAC
- 4-aminobenzenecarboximidamide
- English name
- p-aminobenzamidine
- Molecular formula
- C7H9N3
- Molecular weight
- 135.17
Names & synonyms
4-aminobenzamidinep-Aminobenzamidine3858-83-1Benzenecarboximidamide, 4-amino-Benzamidine, p-amino-63GK9KT599NSC-227928DTXSID30191899para-aminobenzamidineRefChem:518181DTXCID20114390223-370-7
Show more names
ABDNSC 2279284-AminobenzenecarbamidineDabigatran Etexilate Impurity 97
4-Aminobenzenecarboximidamide4-aminobenzimidamide4-AMINOBENZENE-1-CARBOXIMIDAMIDECHEMBL1246324-aminobenzenecarboxamidineCHEMBL545184p-Aminobenzamidine (dihydrochloride)MFCD01310411
Database identifiers
- CAS
3858-83-1- PubChem CID
- 1725
- DTXSID
DTXSID30191899- ChEMBL
CHEMBL124632、CHEMBL545184- UNII
- 63GK9KT599
- EC Number
- 223-370-7
- Nikkaji
- J2.428.656H、J73.146C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 75.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
LogP-0.49
Physicochemical properties
- Melting point
- 182 °C · 182 °C
- Boiling point
- 238.87 °C · 238.87°C (rough estimate)
- Density
- 1.1423 · 1.1423 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- pka
- 13.35 · 13.35±0.50(Predicted)
- FDA UNII
- 63 GK9KT599 · 63GK9KT599
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Serine proteinase inhibitors which inhibit trypsin. They may be endogenous or exogenous compounds.
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES.
Applications
Uses4-Aminobenzenecarboximidamide is a useful research chemical, an aminobenzamidine derivative that functions as a potent and selective urokinase-type plasminogen activator inhibitor.
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Related reactions
8 records
Compound notes
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