1-Benzyl-hexahydro-4H-azepin-4-one - CAS 1208-75-9
Catalog: |
BB004991 |
Product Name: |
1-Benzyl-hexahydro-4H-azepin-4-one |
CAS: |
1208-75-9 |
Synonyms: |
1-(phenylmethyl)-4-azepanone; 1-benzylazepan-4-one |
IUPAC Name: | 1-benzylazepan-4-one |
Description: | 1-Benzyl-hexahydro-4H-azepin-4-one (CAS# 1208-75-9) is a useful research chemical. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | C1CC(=O)CCN(C1)CC2=CC=CC=C2 |
InChI: | InChI=1S/C13H17NO/c15-13-7-4-9-14(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2 |
InChI Key: | RRVIUDRKTCAHQZ-UHFFFAOYSA-N |
Boiling Point: | 318.7 °C at 760 mmHg |
Density: | 1.069 g/cm3 |
MDL: | MFCD04038554 |
LogP: | 2.17950 |
Publication Number | Title | Priority Date |
CN-111039949-A | Preparation method of piperidine spiro derivative | 20191225 |
WO-2021127561-A1 | Isoindolinone and indazole compounds for the degradation of egfr | 20191220 |
WO-2020184670-A1 | Method for introducing deuterated lower alkyl into amine moiety of compound containing secondary amine | 20190313 |
CN-113518771-A | Method for introducing deuterated lower alkyl into amine part of compound containing secondary amine | 20190313 |
EP-3212618-A1 | Inhibitors of the renal outer medullary potassium channel | 20141031 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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