Ethyl 4-(diaminomethylideneamino)benzoate
TL;DR: Ethyl 4-(diaminomethylideneamino)benzoate (CAS 15639-51-7) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(diaminomethylideneamino)benzoate
Also Known As: Ethyl 4-guanidinobenzoate, ethyl 4-carbamimidamidobenzoate, ethyl p-guanidinobenzoate, ethyl 4-(diaminomethylideneamino)benzoate, Benzoic acid, 4-[(aminoiminomethyl)amino]-, ethyl ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13N3O2 |
| Molecular Weight | 207.10077 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=C(N)N |
| InChIKey | WCBGYTIRMLODMA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(diaminomethylideneamino)benzoate
Property Insights of Ethyl 4-(diaminomethylideneamino)benzoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(diaminomethylideneamino)benzoate. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(diaminomethylideneamino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(diaminomethylideneamino)benzoate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-(diaminomethylideneamino)benzoate?
The CAS number of Ethyl 4-(diaminomethylideneamino)benzoate is 15639-51-7.
What is the molecular formula of Ethyl 4-(diaminomethylideneamino)benzoate?
The molecular formula of Ethyl 4-(diaminomethylideneamino)benzoate is C10H13N3O2.
What is the molecular weight of Ethyl 4-(diaminomethylideneamino)benzoate?
The molecular weight of Ethyl 4-(diaminomethylideneamino)benzoate is 207.10077 g/mol.
Where can I buy Ethyl 4-(diaminomethylideneamino)benzoate?
You can request a quote for Ethyl 4-(diaminomethylideneamino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(diaminomethylideneamino)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(diaminomethylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.