![3-[(丙-2-基)氨基]丙腈 structure](/static/products/8835/883533-01-5.webp)
3-[(丙-2-基)氨基]丙腈
TL;DR: 3-[(丙-2-基)氨基]丙腈 (CAS 883533-01-5) is a chemical compound with molecular formula CC(C)NCCC#N and molecular weight 112.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(丙-2-基)氨基]丙腈
3-(propan-2-ylamino)propanenitrile
Also Known As: 3-(Isopropylamino)propanenitrile, Alkylamine der., 3- propanenitrile, 3-[(propan-2-yl)amino]propanenitrile, 3-(Isopropylamino)propionitrile
| Molecular Formula | CC(C)NCCC#N |
|---|---|
| Molecular Weight | 112.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.10005 |
| Heavy Atoms | 8 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 883533-01-5 |
|---|---|
| SMILES | CC(C)NCCC#N |
| InChIKey | XBAXAJAODIQLCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-[(丙-2-基)氨基]丙腈 (CAS 883533-01-5), with molecular formula CC(C)NCCC#N and molecular weight 112.10 g/mol. IUPAC: 3-(propan-2-ylamino)propanenitrile.
Chemical Property Profile of 3-[(丙-2-基)氨基]丙腈
Property Insights of 3-[(丙-2-基)氨基]丙腈
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(丙-2-基)氨基]丙腈. With a topological polar surface area (TPSA) of 35.8 Ų, 3-[(丙-2-基)氨基]丙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(丙-2-基)氨基]丙腈 has 1 hydrogen bond donor(s) and 2 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-[(丙-2-基)氨基]丙腈?
The CAS number of 3-[(丙-2-基)氨基]丙腈 is 883533-01-5.
What is the molecular formula of 3-[(丙-2-基)氨基]丙腈?
The molecular formula of 3-[(丙-2-基)氨基]丙腈 is CC(C)NCCC#N.
What is the molecular weight of 3-[(丙-2-基)氨基]丙腈?
The molecular weight of 3-[(丙-2-基)氨基]丙腈 is 112.10 g/mol.
Where can I buy 3-[(丙-2-基)氨基]丙腈?
You can request a quote for 3-[(丙-2-基)氨基]丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(丙-2-基)氨基]丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-[(丙-2-基)氨基]丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.