1,2,3,4-Tetrahydrobenzo[e][1,4]diazepin-5-one - CAS 28544-83-4
Catalog: |
BB019874 |
Product Name: |
1,2,3,4-Tetrahydrobenzo[e][1,4]diazepin-5-one |
CAS: |
28544-83-4 |
Synonyms: |
1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one; 1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one |
IUPAC Name: | 1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one |
Description: | 1,2,3,4-Tetrahydrobenzo[e][1,4]diazepin-5-one (CAS# 28544-83-4) is a useful research chemical. |
Molecular Weight: | 162.19 |
Molecular Formula: | C9H10N2O |
Canonical SMILES: | C1CNC(=O)C2=CC=CC=C2N1 |
InChI: | InChI=1S/C9H10N2O/c12-9-7-3-1-2-4-8(7)10-5-6-11-9/h1-4,10H,5-6H2,(H,11,12) |
InChI Key: | WCNVOWWRJIZZKA-UHFFFAOYSA-N |
Boiling Point: | 376.1 °C at 760 mmHg |
Density: | 1.137 g/cm3 |
LogP: | 1.71670 |
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 |
KR-20210039968-A | Bicyclic compound and use thereof | 20191002 |
WO-2021066578-A1 | Bicyclic compound and use thereof | 20191002 |
KR-20210039666-A | Bicyclic compound and use thereof | 20191002 |
US-2021154188-A1 | Alk5 inhibitors, conjugates, and uses thereof | 20180402 |
AU-2018356556-A1 | New alcoxyamino derivatives for treating pain and pain related conditions | 20171027 |
PMID | Publication Date | Title | Journal |
11277802 | 20010405 | Design and synthesis of novel scaffolds for drug discovery: hybrids of beta-D-glucose with 1,2,3,4-tetrahydrobenzo[e][1,4]diazepin-5-one, the corresponding 1-oxazepine, and 2- and 4-pyridyldiazepines | Organic letters |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.079312947 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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