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UNC-2170

CAT: 0127-BUP07986-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07986-05Size:100 mg
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CAS Number
1648707-58-7
Synonyms
UNC2170 Maleate, UNC-2170 Maleate, UNC 2170 Maleate
Purity
=95%
Smiles
CC(C)(C)NCCCNC(=O)c1cccc(Br)c1

Chemical Information

3-bromo-N-(3-(tert-butylamino)propyl)benzamide

a 53BP1 ligand; structure in first source

CAS Number1648707-58-7
PubChem CID78673861
IUPAC Name3-bromo-N-[3-(tert-butylamino)propyl]benzamide
Molecular FormulaC14H21BrN2O
Molecular Weight313.23
XLogP2.8
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity263
SMILES
CC(C)(C)NCCCNC(=O)C1=CC(=CC=C1)Br
InChI
InChI=1S/C14H21BrN2O/c1-14(2,3)17-9-5-8-16-13(18)11-6-4-7-12(15)10-11/h4,6-7,10,17H,5,8-9H2,1-3H3,(H,16,18)
InChIKey
XUFUVCIZFNREBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CAS: 1648707-58-7
CID: 78673861
Formula: C14H21BrN2O
MW: 313.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.23
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass312.08373
Monoisotopic Mass312.08373
Topological Polar Surface Area41.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity263
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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