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4-Aminoacetophenone

Catalog Number
ACM99923
Product Name
4-Aminoacetophenone
Structure
CAS
99-92-3
Category
Liquid Crystal (LC) Building Blocks
Synonyms
1-(4-aminophenyl)-ethanon;1-(4-aminophenyl)ethanone[qr];4'-amino-acetophenon;4'-aminoacetophenone[qr];Acetophenone, p-amino-;Acetophenone,4'-amino-;acetophenone,4-amino-[qr];acetophenone,p-amino-[qr]
IUPAC Name
1-(4-aminophenyl)ethanone
Molecular Weight
135.16g/mol
Molecular Formula
C8H9NO
Canonical SMILES
CC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3
InChI Key
GPRYKVSEZCQIHD-UHFFFAOYSA-N
Boiling Point
294.0 °C;294 °C; 195 °C at 15 mm Hg
Melting Point
106 °C
Flash Point
292-294°C
Density
0,77 g/cm
Solubility
Soluble in hydrochloric acid;Very soluble in ether and ethanol;In water, 3.35X10+3 mg/L at 37 °C
Color/Form
Yellow monoclinic prisms from alcohol;Yellow needles
Complexity
125
Covalently-Bonded Unit Count
1
EC Number
202-801-2
Exact Mass
135.068414g/mol
Formal Charge
0
Hazard Statements
Xn,Xi
Heavy Atom Count
10
Log P
0.83 (LogP);log Kow = 0.83
MeSH Entry Terms
4-aminoacetophenone;p-aminoacetophenone;para-aminoacetophenone
Monoisotopic Mass
135.068414g/mol
NSC Number
3242
Odor
Pleasant, characteristic odor
Other Experimental
Henry's Law constant = 4.45X10-9 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 1.05X10-10 cu cm/molec-sec at 25 °C (est)
Rotatable Bond Count
1
Safety Description
26-36
Supplemental Hazard Statements
H335-H315-H319-H302
UNII
1S58KH902I
Vapor Pressure
4.32X10-4 mm Hg at 25 °C (est)
XLogP3
0.8
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