1-Methylazepan-4-one Hydrochloride - CAS 19869-42-2
Catalog: |
BB015359 |
Product Name: |
1-Methylazepan-4-one Hydrochloride |
CAS: |
19869-42-2 |
Synonyms: |
1-methyl-4-azepanone;hydrochloride; 1-methylazepan-4-one;hydrochloride |
IUPAC Name: | 1-methylazepan-4-one;hydrochloride |
Description: | 1-Methylazepan-4-one Hydrochloride (CAS# 19869-42-2) is used in preparation of N-Methylhexahydroazepan-4-one Hydrochloride. |
Molecular Weight: | 163.65 |
Molecular Formula: | C7H14ClNO |
Canonical SMILES: | CN1CCCC(=O)CC1.Cl |
InChI: | InChI=1S/C7H13NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h2-6H2,1H3;1H |
InChI Key: | BHSJZGRGJYULPA-UHFFFAOYSA-N |
Boiling Point: | 196.4 °C at 760 mmHg |
MDL: | MFCD07779465 |
LogP: | 1.41110 |
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 |
CN-112079739-A | Preparation method of azelastine key intermediate N-methylhexahydroazepin-4-one hydrochloride | 20200928 |
CN-113045547-A | Preparation method of azelastine hydrochloride | 20191227 |
WO-2020176599-A1 | Azepino-indoles and other heterocycles for treating brain disorders | 20190227 |
CN-102391253-A | Synthetic technology of azelastine hydrochloride | 20111024 |
AU-2012326682-A1 | Method for inhibition of deubiquitinating activity | 20111019 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0763918 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 20.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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