beta-ALANINE, N-BUTYL-N-NITROSO-
TL;DR: beta-ALANINE, N-BUTYL-N-NITROSO- (CAS 62018-92-2) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[butyl(nitroso)amino]propanoic acid
Also Known As: 3-[butyl(nitroso)amino]propanoic acid, beta-ALANINE, N-BUTYL-N-NITROSO-, N-Butyl-N-(2-carboxyethyl)nitrosamine, N-BUTYL-N- NITROSAMINE, N-Butyl-N-nitroso-beta-alanine
| Molecular Formula | C7H14N2O3 |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.10045 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 62018-92-2 |
|---|---|
| SMILES | CCCCN(CCC(=O)O)N=O |
| InChIKey | OAGWFRXOYCBVLF-UHFFFAOYSA-N |
Product Overview
beta-ALANINE, N-BUTYL-N-NITROSO- (CAS 62018-92-2), with molecular formula C7H14N2O3 and molecular weight 174.10 g/mol. IUPAC: 3-[butyl(nitroso)amino]propanoic acid.
Chemical Property Profile of beta-ALANINE, N-BUTYL-N-NITROSO-
Property Insights of beta-ALANINE, N-BUTYL-N-NITROSO-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-ALANINE, N-BUTYL-N-NITROSO-. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-ALANINE, N-BUTYL-N-NITROSO-. Following Lipinski's Rule of Five, beta-ALANINE, N-BUTYL-N-NITROSO- has 1 hydrogen bond donor(s) and 5 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 beta-ALANINE, N-BUTYL-N-NITROSO-?
The CAS number of beta-ALANINE, N-BUTYL-N-NITROSO- is 62018-92-2.
What is the molecular formula of beta-ALANINE, N-BUTYL-N-NITROSO-?
The molecular formula of beta-ALANINE, N-BUTYL-N-NITROSO- is C7H14N2O3.
What is the molecular weight of beta-ALANINE, N-BUTYL-N-NITROSO-?
The molecular weight of beta-ALANINE, N-BUTYL-N-NITROSO- is 174.10 g/mol.
Where can I buy beta-ALANINE, N-BUTYL-N-NITROSO-?
You can request a quote for beta-ALANINE, N-BUTYL-N-NITROSO- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-ALANINE, N-BUTYL-N-NITROSO-?
Yes, KEHONG BIO provides custom synthesis services for beta-ALANINE, N-BUTYL-N-NITROSO- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.