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NPEC-caged-noradrenalin

CAT: 0572-TRC-N899020-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N899020-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1257323-83-3
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
O=C(OC(C1=CC=CC=C1[N+]([O-])=O)C)NC[C@@H](C2=CC=C(O)C(O)=C2)O
Molecular Formula
C17H18N2O7
Molecular Weight
362.33
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

NPEC-caged-noradrenalin
CAS Number1257323-83-3
PubChem CID90488899
IUPAC Name1-(2-nitrophenyl)ethyl N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]carbamate
Molecular FormulaC17H18N2O7
Molecular Weight362.3
XLogP1.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity484
SMILES
CC(C1=CC=CC=C1[N+](=O)[O-])OC(=O)NC[C@@H](C2=CC(=C(C=C2)O)O)O
InChI
InChI=1S/C17H18N2O7/c1-10(12-4-2-3-5-13(12)19(24)25)26-17(23)18-9-16(22)11-6-7-14(20)15(21)8-11/h2-8,10,16,20-22H,9H2,1H3,(H,18,23)/t10?,16-/m0/s1
InChIKey
NPSOVAJKABVLMR-CSPPYYTDSA-N
Chemical Structure
2D Structure
2D structure of NPEC-caged-noradrenalin
CAS: 1257323-83-3
CID: 90488899
Formula: C17H18N2O7
MW: 362.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.3
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass362.11140092
Monoisotopic Mass362.11140092
Topological Polar Surface Area145 Ų
Heavy Atom Count26
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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