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Benzamide,5-bromo-N-[2-(diethylamino)ethyl]-4-[(4,5-dihydro-5-methyl-1H-imidazol-2-yl)amino]-2-methoxy- structure
Benzamide,5-bromo-N-[2-(diethylamino)ethyl]-4-[(4,5-dihydro-5-methyl-1H-imidazol-2-yl)amino]-2-methoxy- structure

Benzamide,5-bromo-N-[2-(diethylamino)ethyl]-4-[(4,5-dihydro-5-methyl-1H-imidazol-2-yl)amino]-2-methoxy-

Iupac Name:4-hydroxybenzaldehyde
CAS No.:123-08-0
Molecular Weight:122.123
1. Names and Identifiers
1.1 Name
Benzamide,5-bromo-N-[2-(diethylamino)ethyl]-4-[(4,5-dihydro-5-methyl-1H-imidazol-2-yl)amino]-2-methoxy-
1.2 Synonyms

111071-50-2 5-bromo-n-(2-diethylaminoethyl)-2-methoxy-4-[(5-methyl-4,5-dihydro-1h-imidazol-2-yl)amino]benzamide 5-bromo-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide 5-Bromo-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzene-1-carboximidic acid AC1MICGS benzamide, 5-bromo-n-(2-(diethylamino)ethyl)-4-((4,5-dihydro-4-methyl-1h-imidazol-2-yl)amino)-2-methoxy- Benzamide,5-bromo-N-[2-(diethylamino)ethyl]-4-[(4,5-dihydro-4-methyl-1H-imidazol-2-yl)amino]-2-methoxy-(9CI) DTXSID60911981 HE295508 n-(2-diethylaminoethyl)-2-methoxy-4-(4,5-dihydro-4-methylimidazol-2-ylamino)-5-bromobenzamide

1.3 CAS No.
123-08-0
1.4 CID
126
1.5 EINECS(EC#)
290-695-9
1.6 Molecular Formula
C8H14O (isomer)
1.7 Inchi
InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
1.8 InChkey
RGHHSNMVTDWUBI-UHFFFAOYSA-N
1.9 Canonical Smiles
C1=CC(=CC=C1C=O)O
2. 3D Conformer
3. Properties
3.1 Density
1.07
3.2 Melting Point
114-118℃
3.3 Vapour
0.0171mmHg at 25°C
3.4 Refractive Index
1.57055 (130 C)
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
4.3 PackingGroup
I; II; III
4.4 Transport
25kgs
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:122.123g/mol
  • Molecular Formula:C8H14O
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.4
  • Exact Mass:122.037
  • Monoisotopic Mass:122.037
  • Complexity:93.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADASgmAIwBoAAAgCI AihSgAACAAAkIAAIiAEGCMgIJjKCFRKAcQAkwBEImYeIzADOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
8. Question & Answer
  • Acidity is dependent on charge dispersal. Greater the charge dispersal in conjugate base greater the acidity (assuming that both acids being compared have similar stablities). So in the case of 4-Hydroxybenzaldehyde, in the conjugate base the charge would delocalise over two oxygen atoms as well as...
  • 4-Hydroxybenzaldehyde is colorless crystalline powder. Melting point: 115-116 ℃, the relative density is 1.129 (30/4℃). In the air, 4-Hydroxybenzaldehyde is easily to be sublimated. 4-Hydroxybenzaldehyde is easily soluble in alcohol, ether, acetone, and ethyl acetate, slightly soluble in water (a...
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