tert- Butyl 5- oxo- 1- Azocanecarboxylate - CAS 1309359-79-2
Catalog: |
BB071571 |
Product Name: |
tert- Butyl 5- oxo- 1- Azocanecarboxylate |
CAS: |
1309359-79-2 |
Synonyms: |
tert-butyl 5-oxoazocane-1-carboxylate; tert-butyl5-oxoazocane-1-carboxylate; tert-Butyl 5-oxo-1-Azocanecarboxylate |
IUPAC Name: | tert-butyl 5-oxoazocane-1-carboxylate |
Molecular Weight: | 227.3 |
Molecular Formula: | C12H21NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(=O)CCC1 |
InChI: | InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-4-6-10(14)7-5-9-13/h4-9H2,1-3H3 |
InChI Key: | OHBOOHCNAFIGLR-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.15214353 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.15214353 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS