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DMABA NHS Ester

CAT: 0572-TRC-D678400-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D678400-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58068-85-2
Synonyms
4-(Dimethylamino)benzoic Acid 2,5-Dioxo-1-pyrrolidinyl Ester; 1-[[4-(Dimethylamino)benzoyl]oxy]-2,5-pyrrolidinedione; N-Succinimidyl 4-(Dimethylamino)benzoate; DMABA N-Hydroxysuccinimide Ester; 4-(Dimethylamino) Benzoic Acid NHS Ester;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CN(C)c1ccc(cc1)C(=O)ON2C(=O)CCC2=O
Molecular Formula
C13H14N2O4
Molecular Weight
262.26
Shipping Conditions
Ice Packs
Storage Conditions
-20°C

Chemical Information

DMABA NHS Ester
CAS Number58068-85-2
PubChem CID71312544
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(dimethylamino)benzoate
Molecular FormulaC13H14N2O4
Molecular Weight262.26
XLogP1
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity370
SMILES
CN(C)C1=CC=C(C=C1)C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C13H14N2O4/c1-14(2)10-5-3-9(4-6-10)13(18)19-15-11(16)7-8-12(15)17/h3-6H,7-8H2,1-2H3
InChIKey
FNGFZOAQGYOQTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DMABA NHS Ester
CAS: 58068-85-2
CID: 71312544
Formula: C13H14N2O4
MW: 262.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.26
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass262.09535693
Monoisotopic Mass262.09535693
Topological Polar Surface Area66.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity370
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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