Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)
TL;DR: Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) (CAS 158832-63-4) is a chemical compound with molecular formula C6H12ClN3O2 and molecular weight 193.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylate;hydrochloride
Also Known As: Methyl (+)-2-imino-hexahydro-4-pyridmidinecarboxylate hydrochloride, 4-Pyrimidinecarboxylic acid, hexahydro-2-imino-, methyl ester, monohydrochloride, (+)-, Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1), methyl 2-amino-1,4,5,6-tetrahydropyrimidine-6-carboxylate hydrochloride
Technical Specifications
| Molecular Formula | C6H12ClN3O2 |
| Molecular Weight | 193.0618 g/mol |
| XLogP | -0.7422 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 193.0618 Da |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
| SMILES | COC(=O)C1CCN=C(N1)N.Cl |
| InChIKey | BTYXHYUVQHYWOZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)
Property Insights of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)
The XLogP value of -0.7422 indicates that Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) 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
What is the CAS number of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)?
The CAS number of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) is 158832-63-4.
What is the molecular formula of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)?
The molecular formula of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) is C6H12ClN3O2.
What is the molecular weight of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)?
The molecular weight of Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) is 193.0618 g/mol.
Where can I buy Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)?
You can request a quote for Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1)?
Yes, CoreyChem provides custom synthesis services for Methyl 2-imino-1,3-diazinane-4-carboxylate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.