3-Acetamidobenzaldehyde - CAS 59755-25-8

Catalog:	BB030488
Product Name:	3-Acetamidobenzaldehyde
CAS:	59755-25-8
Synonyms:	N-(3-formylphenyl)acetamide; N-(3-formylphenyl)acetamide

Technical Data

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Computed Properties

IUPAC Name:	N-(3-formylphenyl)acetamide
Description:	3-Acetamidobenzaldehyde (CAS# 59755-25-8) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	CC(=O)NC1=CC=CC(=C1)C=O
InChI:	InChI=1S/C9H9NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-6H,1H3,(H,10,12)
InChI Key:	KBKWZUVMKBNTFP-UHFFFAOYSA-N
Boiling Point:	370.7 °C at 760 mmHg
Density:	1.216 g/cm³
LogP:	1.53050

Publication Number	Title	Priority Date
EP-3586876-A1	Glucose-sensitive peptide hormones	20180621
WO-2019243576-A1	Glucose-sensitive peptide hormones	20180621
EP-3556755-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
WO-2019201865-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417
AU-2019256670-A1	Substituted aminothiazoles as inhibitors of nucleases	20180417

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

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2,2'-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1