1-Butanamine, N-isopropylidene
TL;DR: 1-Butanamine, N-isopropylidene (CAS 6700-95-4) is a chemical compound with molecular formula C7H15N and molecular weight 113.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butylpropan-2-imine
Also Known As: N-butylpropan-2-imine, 1-Butanamine, N-isopropylidene, n-isopropylidenebutylamine, isopropylidenebutylamine, N-Butyl-2-propanimine
| Molecular Formula | C7H15N |
|---|---|
| Molecular Weight | 113.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.12045 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 6700-95-4 |
|---|---|
| SMILES | CCCCN=C(C)C |
| InChIKey | CFSQDRBJTRXPQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butanamine, N-isopropylidene (CAS 6700-95-4), with molecular formula C7H15N and molecular weight 113.12 g/mol. IUPAC: N-butylpropan-2-imine.
Chemical Property Profile of 1-Butanamine, N-isopropylidene
Property Insights of 1-Butanamine, N-isopropylidene
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butanamine, N-isopropylidene. With a topological polar surface area (TPSA) of 12.4 Ų, 1-Butanamine, N-isopropylidene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanamine, N-isopropylidene has 0 hydrogen bond donor(s) and 1 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 1-Butanamine, N-isopropylidene?
The CAS number of 1-Butanamine, N-isopropylidene is 6700-95-4.
What is the molecular formula of 1-Butanamine, N-isopropylidene?
The molecular formula of 1-Butanamine, N-isopropylidene is C7H15N.
What is the molecular weight of 1-Butanamine, N-isopropylidene?
The molecular weight of 1-Butanamine, N-isopropylidene is 113.12 g/mol.
Where can I buy 1-Butanamine, N-isopropylidene?
You can request a quote for 1-Butanamine, N-isopropylidene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanamine, N-isopropylidene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanamine, N-isopropylidene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.