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N-Nitrosopropranolol

CAT: 0572-TRC-N137310-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N137310-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84418-35-9
Synonyms
1-[(1-Methylethyl)nitrosoamino]-3-(1-naphthalenyloxy)-2-propanol
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CC(C)N(CC(O)COc1cccc2ccccc12)N=O
Molecular Formula
C16H20N2O3
Molecular Weight
288.34
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-Nitrosopropranolol

structure for (E)-isomer & RN given in first source

CAS Number84418-35-9
PubChem CID128614
IUPAC NameN-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylnitrous amide
Molecular FormulaC16H20N2O3
Molecular Weight288.34
XLogP3.4
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity325
SMILES
CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)N=O
InChI
InChI=1S/C16H20N2O3/c1-12(2)18(17-20)10-14(19)11-21-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,19H,10-11H2,1-2H3
InChIKey
TXYRHXNLIUKPMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosopropranolol
CAS: 84418-35-9
CID: 128614
Formula: C16H20N2O3
MW: 288.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.34
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass288.14739250
Monoisotopic Mass288.14739250
Topological Polar Surface Area62.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity325
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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