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JW 480

CAT: 0127-BUP10452-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10452-02Size:10 mg
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CAS Number
1354359-53-7
Purity
=98%
Smiles
CC(C)c1ccccc1OC(=O)NCCc1ccc2ccccc2c1

Chemical Information

2-Isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate

Carbamic acid, N-[2-(2-naphthalenyl)ethyl]-, 2-(1-methylethyl)phenyl ester is a member of naphthalenes.

CAS Number1354359-53-7
PubChem CID57330099
IUPAC Name(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate
Molecular FormulaC22H23NO2
Molecular Weight333.4
XLogP5.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity422
SMILES
CC(C)C1=CC=CC=C1OC(=O)NCCC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C22H23NO2/c1-16(2)20-9-5-6-10-21(20)25-22(24)23-14-13-17-11-12-18-7-3-4-8-19(18)15-17/h3-12,15-16H,13-14H2,1-2H3,(H,23,24)
InChIKey
PCNJGBMWAZRVEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate
CAS: 1354359-53-7
CID: 57330099
Formula: C22H23NO2
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass333.172878976
Monoisotopic Mass333.172878976
Topological Polar Surface Area38.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity422
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