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N-Nitrosoephedrine

CAT: 0572-TRC-N137360-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N137360-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
17608-59-2
Hazard Statement
Harmful if swallowed; UN number: UN3263; Packing Group: II
Purity
>95% (HPLC)
Smiles
CC(C(O)c1ccccc1)N(C)N=O
Molecular Formula
C10 H14 N2 O2
Molecular Weight
194.23
InChI
InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
Additionnal Information
IUPAC name: N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha-(1-(Methylnitrosoamino)ethyl)benzenemethanol
CAS Number17608-59-2
PubChem CID28638
IUPAC NameN-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide
Molecular FormulaC10H14N2O2
Molecular Weight194.23
XLogP1.5
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity181
SMILES
CC(C(C1=CC=CC=C1)O)N(C)N=O
InChI
InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
InChIKey
ZVTOLKAVCZXHFM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-(1-(Methylnitrosoamino)ethyl)benzenemethanol
CAS: 17608-59-2
CID: 28638
Formula: C10H14N2O2
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass194.105527694
Monoisotopic Mass194.105527694
Topological Polar Surface Area52.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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