Basic information
- CAS
145153-54-4- Standard SMILES
CC(CN)CCCN.O=C(O)c1ccc(C(=O)O)cc1- InChIKey
VREXKMBXMKUOFR-UHFFFAOYSA-N- Molecular formula
- C14H22N2O4
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.15795719
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylic acid, compd. with 2-methyl-1,5-pentanediamine (1:1)
- IUPAC
- 2-methylpentane-1,5-diamine;terephthalic acid
Names & synonyms
SCHEMBL1580253DTXSID6013878751,4-Benzenedicarboxylic acid, compd. with 2-methyl-1,5-pentanediamine (1:1)145153-54-4
Database identifiers
- CAS
145153-54-4- PubChem CID
- 18628362
- DTXSID
DTXSID601387875
Properties
Computed structural properties
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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