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A 144

CAT: 0013-GTR19196008-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196008-03Size:50 mg
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Description
A 144
CAS Number
41510-03-6
Smiles
O=C (O) CCCNCNC=1C=CC=2C=CC=CC2C1
Molecular Formula
C15H18N2O2
Molecular Weight
258.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-Naphthylaminomethyl-gamma-aminobutyric acid
CAS Number41510-03-6
PubChem CID191061
IUPAC Name4-[(naphthalen-2-ylamino)methylamino]butanoic acid
Molecular FormulaC15H18N2O2
Molecular Weight258.32
XLogP0.4
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity283
SMILES
C1=CC=C2C=C(C=CC2=C1)NCNCCCC(=O)O
InChI
InChI=1S/C15H18N2O2/c18-15(19)6-3-9-16-11-17-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,7-8,10,16-17H,3,6,9,11H2,(H,18,19)
InChIKey
LJCZRFFCDLIUBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Naphthylaminomethyl-gamma-aminobutyric acid
CAS: 41510-03-6
CID: 191061
Formula: C15H18N2O2
MW: 258.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.32
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass258.136827821
Monoisotopic Mass258.136827821
Topological Polar Surface Area61.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity283
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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