tert-butyl N-(1-aminopropylideneamino)carbamate
TL;DR: tert-butyl N-(1-aminopropylideneamino)carbamate (CAS 159016-21-4) is a chemical compound with molecular formula C8H17N3O2 and molecular weight 187.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(1-aminopropylideneamino)carbamate
Also Known As: tert-butyl N-(1-aminopropylideneamino)carbamate, NCI60_029840, tert-Butyl 2-propanimidoylhydrazinecarboxylate, tert-Butyl 2-(1-aminopropylidene)hydrazinecarboxylate, N'-[1-Aminopropylidene]hydrazinecarboxylic acid tert-butyl ester
| Molecular Formula | C8H17N3O2 |
|---|---|
| Molecular Weight | 187.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.13208 |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 159016-21-4 |
|---|---|
| SMILES | CCC(=NNC(=O)OC(C)(C)C)N |
| InChIKey | DHIIGGBUSJELIL-UHFFFAOYSA-N |
Product Overview
tert-butyl N-(1-aminopropylideneamino)carbamate (CAS 159016-21-4), with molecular formula C8H17N3O2 and molecular weight 187.13 g/mol. IUPAC: tert-butyl N-(1-aminopropylideneamino)carbamate.
Chemical Property Profile of tert-butyl N-(1-aminopropylideneamino)carbamate
Property Insights of tert-butyl N-(1-aminopropylideneamino)carbamate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1-aminopropylideneamino)carbamate. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(1-aminopropylideneamino)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(1-aminopropylideneamino)carbamate has 2 hydrogen bond donor(s) and 3 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 tert-butyl N-(1-aminopropylideneamino)carbamate?
The CAS number of tert-butyl N-(1-aminopropylideneamino)carbamate is 159016-21-4.
What is the molecular formula of tert-butyl N-(1-aminopropylideneamino)carbamate?
The molecular formula of tert-butyl N-(1-aminopropylideneamino)carbamate is C8H17N3O2.
What is the molecular weight of tert-butyl N-(1-aminopropylideneamino)carbamate?
The molecular weight of tert-butyl N-(1-aminopropylideneamino)carbamate is 187.13 g/mol.
Where can I buy tert-butyl N-(1-aminopropylideneamino)carbamate?
You can request a quote for tert-butyl N-(1-aminopropylideneamino)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(1-aminopropylideneamino)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(1-aminopropylideneamino)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.