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CAT: 0127-BUP11135-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11135-03Size:50 mg
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CAS Number
148757-94-2
Synonyms
6-Aminoquinolyl-N-hydroxysccinimidyl carbamate
Purity
=98%
Smiles
O=C(Nc1ccc2ncccc2c1)ON1C(=O)CCC1=O

Chemical Information

6-Aminoquinolyl-N-hydroxysuccinimidyl carbamate

structure given in first source

CAS Number148757-94-2
PubChem CID2762553
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-quinolin-6-ylcarbamate
Molecular FormulaC14H11N3O4
Molecular Weight285.25
XLogP1.1
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity438
SMILES
C1CC(=O)N(C1=O)OC(=O)NC2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-3-4-11-9(8-10)2-1-7-15-11/h1-4,7-8H,5-6H2,(H,16,20)
InChIKey
LINZYZMEBMKKIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Aminoquinolyl-N-hydroxysuccinimidyl carbamate
CAS: 148757-94-2
CID: 2762553
Formula: C14H11N3O4
MW: 285.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.25
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass285.07495584
Monoisotopic Mass285.07495584
Topological Polar Surface Area88.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity438
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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