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331636-68-1 molecular structure
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N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide

ChemBase ID: 295506
Molecular Formular: C19H16N2O3
Molecular Mass: 320.34194
Monoisotopic Mass: 320.11609238
SMILES and InChIs

SMILES:
COc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2
Canonical SMILES:
COc1ccc(cc1)C(=O)NNC(=O)c1cccc2c1cccc2
InChI:
InChI=1S/C19H16N2O3/c1-24-15-11-9-14(10-12-15)18(22)20-21-19(23)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3,(H,20,22)(H,21,23)
InChIKey:
MTZHJEBRPLTJNT-UHFFFAOYSA-N

Cite this record

CBID:295506 http://www.chembase.cn/molecule-295506.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide
IUPAC Traditional name
N'-(4-methoxybenzoyl)naphthalene-1-carbohydrazide
Synonyms
1-(4-Methoxybenzoyl)-2-(1-naphthoyl)hydrazine
1-(4-甲氧苯甲酰基)-2-(1-萘甲酰基)-肼
CAS Number
331636-68-1
MDL Number
MFCD00021530
PubChem SID
180681037
PubChem CID
96764

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 96764 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.797751  H Acceptors
H Donor LogD (pH = 5.5) 2.9204166 
LogD (pH = 7.4) 2.9204166  Log P 2.9204166 
Molar Refractivity 91.5862 cm3 Polarizability 35.608967 Å3
Polar Surface Area 67.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
187-190°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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