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O-Benzylhydroxylamine

CAT: 0572-TRC-B535498-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B535498-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
622-33-3
Hazard Statement
No Data Available; UN number: UN2810; Packing Group: III
Purity
>95% (HPLC)
Smiles
NOCc1ccccc1
Molecular Formula
C7H9NO
Molecular Weight
123.15
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

O-Benzylhydroxylamine

RN given refers to parent cpd

CAS Number622-33-3
PubChem CID102313
IUPAC NameO-benzylhydroxylamine
Molecular FormulaC7H9NO
Molecular Weight123.15
XLogP1.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity69
SMILES
C1=CC=C(C=C1)CON
InChI
InChI=1S/C7H9NO/c8-9-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
XYEOALKITRFCJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Benzylhydroxylamine
CAS: 622-33-3
CID: 102313
Formula: C7H9NO
MW: 123.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.15
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass123.068413911
Monoisotopic Mass123.068413911
Topological Polar Surface Area35.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FB145736-01O-Benzylhydroxylamine
003557O-Benzylhydroxylamine Hydrochloride
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261767-01Benzylhydroxylamine HCl
B9580Benzylhydroxylamine Hydrochloride
OR1043461-01N-Benzylhydroxylamine
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