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O-Phenethylhydroxylamine hydrochloride

CAT: 0127-OR1057200-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1057200-01Size:100 mg
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CAS Number
13571-04-5
MDL Number
MFCD00242948
Purity
97%
Smiles
NOCCC1=CC=CC=C1.[H]Cl

Chemical Information

Hydroxylamine, O-phenethyl-, hydrochloride
CAS Number13571-04-5
PubChem CID202939
IUPAC NameO-(2-phenylethyl)hydroxylamine;hydrochloride
Molecular FormulaC8H12ClNO
Molecular Weight173.64
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity79
SMILES
C1=CC=C(C=C1)CCON.Cl
InChI
InChI=1S/C8H11NO.ClH/c9-10-7-6-8-4-2-1-3-5-8;/h1-5H,6-7,9H2;1H
InChIKey
MUPSJLRUCGYRTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxylamine, O-phenethyl-, hydrochloride
CAS: 13571-04-5
CID: 202939
Formula: C8H12ClNO
MW: 173.64
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.64
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass173.0607417
Monoisotopic Mass173.0607417
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity79.3
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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