N-Boc-hexahydro-1H-azepin-4-one - CAS 188975-88-4
Catalog: |
BB014577 |
Product Name: |
N-Boc-hexahydro-1H-azepin-4-one |
CAS: |
188975-88-4 |
Synonyms: |
tert-butyl 4-oxoazepane-1-carboxylate |
IUPAC Name: | tert-butyl 4-oxoazepane-1-carboxylate |
Description: | N-Boc-hexahydro-1H-azepin-4-one (CAS# 188975-88-4) is a compound useful in organic synthesis. |
Molecular Weight: | 213.27 |
Molecular Formula: | C11H19NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCCC(=O)CC1 |
InChI: | InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3 |
InChI Key: | PMLBUVZPRKXMOX-UHFFFAOYSA-N |
Boiling Point: | 308.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.072 g/cm3 |
MDL: | MFCD03788435 |
LogP: | 1.91440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021161105-A1 | P2x3 modulators | 20200214 |
WO-2021158948-A1 | Quinuclidinone analogues as anticancer agents | 20200209 |
WO-2021156636-A1 | Triazole derivatives with antifungal activity | 20200205 |
US-2021253556-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 20200204 |
WO-2021158829-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 20200204 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Piperidones
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS