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Bromisoval

CAT: 0926-FB38229-02Size: 250 gDry Ice: NoHazardous: No
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CAT#:0926-FB38229-02Size:250 g
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CAS Number
496-67-3
Synonyms
N- (2-Bromo-3-methylbutanoyl) urea
MDL Number
MFCD00047873
Smiles
CC (C) C (C (=O) NC (=O) N) Br
Molecular Formula
C6H11BrN2O2
Molecular Weight
223.07 g/mol
Controlled
Yes

Chemical Information

Bromovalerylurea

2-bromo-N-carbamoyl-3-methylbutanamide is an N-acylurea that is urea in which one of the hydrogens is replaced by a 2-bromo-3-methybutanoyl group. It is an organobromine compound and a N-acylurea.

CAS Number496-67-3
PubChem CID2447
IUPAC Name2-bromo-N-carbamoyl-3-methylbutanamide
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07
XLogP1.1
Topological Polar Surface Area72.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity170
SMILES
CC(C)C(C(=O)NC(=O)N)Br
InChI
InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
InChIKey
CMCCHHWTTBEZNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromovalerylurea
CAS: 496-67-3
CID: 2447
Formula: C6H11BrN2O2
MW: 223.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.07
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass222.00039
Monoisotopic Mass222.00039
Topological Polar Surface Area72.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS3604659-01Bromisoval
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HY-B2113R-01Bromisoval (Standard)
A17590-200Bromisoval 200mg
A17590-1000Bromisoval 1g
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AR-B07884-01Bromisoval Impurity 1
A17590-10mM-DBromisoval 10mM * 1mL in DMSO
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RM-B181303-01Bromisoval Impurity 3

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