![Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- structure](/static/products/199/199535-06-3.png)
Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-
TL;DR: Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- (CAS 199535-06-3) is a chemical compound with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(diaminomethylideneamino)ethyl]benzoic acid
Also Known As: 3-(2-guanidinoethyl)benzoic acid, Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-, 3-[2-(diaminomethylideneamino)ethyl]benzoic acid
| Molecular Formula | C10H13N3O2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.10077 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 199535-06-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)CCN=C(N)N |
| InChIKey | QUYICSLJBMAOBK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- (CAS 199535-06-3), with molecular formula C10H13N3O2 and molecular weight 207.10 g/mol. IUPAC: 3-[2-(diaminomethylideneamino)ethyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-
Property Insights of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-. Following Lipinski's Rule of Five, Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-?
The CAS number of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- is 199535-06-3.
What is the molecular formula of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-?
The molecular formula of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- is C10H13N3O2.
What is the molecular weight of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-?
The molecular weight of Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- is 207.10 g/mol.
Where can I buy Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-?
You can request a quote for Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-[2-[(aminoiminomethyl)amino]ethyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.