1,4-Benzenedicarboximidamide
Basic information
- CAS
15411-54-8- Standard SMILES
N=C(N)c1ccc(C(=N)N)cc1- InChIKey
UNMMLGAPDZGRJJ-UHFFFAOYSA-N- Molecular formula
- C8H10N4
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.09054634
Overview
Terephthalamidine is a derivative of the phthalanilide compounds. Terephthalamidine belongs to a family of compounds which appear to reversibly bind to the minor groove of the DNA double helix but not intercalate DNA. This agent also has been suggested to form ionic complexes with many biological components in vitro, including nucleic acids, proteins and lipids.
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboximidamide
- IUPAC
- benzene-1,4-dicarboximidamide
- English name
- 1,4-DIAMIDINOBENZENE
- Molecular formula
- C8H10N4
- Molecular weight
- 162.19
Names & synonyms
Terephthalamidine15411-54-81,4-BenzenedicarboximidamideDTXSID10165538RefChem:891397DTXCID7088029NSC57155benzene-1,4-dicarboximidamide1,4-Diamidinobenzenebenzdiamidinebenzene-1,4-dicarboxamidineTerephthalamidin
Show more names
4-DIAMIDINOBENZENEterephthalimidamide
MFCD01108407SCHEMBL537030orb1695093CHEMBL1187958QAA41154AKOS004903531CS-0014259EN300-817875
Database identifiers
- CAS
15411-54-8- PubChem CID
- 159756
- DTXSID
DTXSID10165538- ChEMBL
CHEMBL1187958- EC Number
- 831-228-6
- Nikkaji
- J822.204E
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 99.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 301.8 · 301.8±52.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 10.77 · 10.77±0.50(Predicted)
- NCI Drug Dictionary
- terephthalamidine
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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