3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
TL;DR: 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 17599-07-4) is a chemical compound with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobenzoyl)oxypropyl-dimethylazanium chloride
Also Known As: p-Aminobenzoic acid 3-(dimethylamino)propyl ester hydrochloride, 3-(4-aminobenzoyl)oxypropyl-dimethylazanium chloride, BENZOIC ACID, p-AMINO-, 3-(DIMETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1), 1-Propanol, 3-(dimethylamino)-, p-aminobenzoate (ester), monohydrochloride
| Molecular Formula | C12H19ClN2O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | -3.04 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.1135 |
| Heavy Atoms | 17 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 17599-07-4 |
|---|---|
| SMILES | C[NH+](C)CCCOC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | SOPJPVBFMDDQDB-UHFFFAOYSA-N |
Product Overview
3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 17599-07-4), with molecular formula C12H19ClN2O2 and molecular weight 258.11 g/mol. IUPAC: 3-(4-aminobenzoyl)oxypropyl-dimethylazanium chloride.
Chemical Property Profile of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
Property Insights of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
The XLogP value of -3.04 indicates that 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) has 2 hydrogen bond donor(s) and 4 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 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is 17599-07-4.
What is the molecular formula of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is C12H19ClN2O2.
What is the molecular weight of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is 258.11 g/mol.
Where can I buy 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.