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2-Aminoacetophenone hydrochloride

CAT: 0926-FA158319-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FA158319-01Size:0.25 kg
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CAS Number
5468-37-1
Synonyms
2-Amino-1-phenylethanone hydrochloride
MDL Number
MFCD00012873
Smiles
C1=CC=C (C=C1) C (=O) CN.Cl
Molecular Formula
C8H9NO·HCl
Molecular Weight
171.62 g/mol
Controlled
No

Chemical Information

Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)

See also: Phenacylamine (annotation moved to).

CAS Number5468-37-1
PubChem CID2723597
IUPAC Name2-amino-1-phenylethanone;hydrochloride
Molecular FormulaC8H10ClNO
Molecular Weight171.62
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
C1=CC=C(C=C1)C(=O)CN.Cl
InChI
InChI=1S/C8H9NO.ClH/c9-6-8(10)7-4-2-1-3-5-7;/h1-5H,6,9H2;1H
InChIKey
CVXGFPPAIUELDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 2-amino-1-phenyl-, hydrochloride (1:1)
CAS: 5468-37-1
CID: 2723597
Formula: C8H10ClNO
MW: 171.62
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.62
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass171.0450916
Monoisotopic Mass171.0450916
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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