Formula |
C14H13N7O2 |
IUPAC Name |
4-[(2,4-diaminopteridin-6-yl)methylamino]benzoic acid |
Molecular Mass |
311.299 g·mol−1 |
Heat of Formation |
42.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.50 ± 1.08 D |
Volume |
340.33 Å 3 |
Surface Area |
324.59 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
-1.31 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-(n-((2,4-diamino-6-pteridinyl)methyl)amino)benzoic acid
- 4-[(2,4-diamino-6-pteridinyl)methylamino]benzoic acid
- 4-pmab
- benzoic acid, 4-(((2,4-diamino-6-pteridinyl)methyl)amino)-
|
CAS Number(s) |
|
InChIKey |
OSYSFOFKQDNPGP-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|