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2- (4-Bromophenyl) propan-2-amine

CAT: 0127-OR900669-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR900669-01Size:250 mg
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CAS Number
17797-12-5
MDL Number
MFCD06797600
Purity
98%
Smiles
CC(C)(N)c1ccc(Br)cc1
Storage Conditions
Store at 2-8°C

Chemical Information

2-(4-Bromophenyl)propan-2-amine
CAS Number17797-12-5
PubChem CID23009116
IUPAC Name2-(4-bromophenyl)propan-2-amine
Molecular FormulaC9H12BrN
Molecular Weight214.10
XLogP2.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity126
SMILES
CC(C)(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C9H12BrN/c1-9(2,11)7-3-5-8(10)6-4-7/h3-6H,11H2,1-2H3
InChIKey
IQKKTIWXHJDLFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromophenyl)propan-2-amine
CAS: 17797-12-5
CID: 23009116
Formula: C9H12BrN
MW: 214.10
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.10
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass213.01531
Monoisotopic Mass213.01531
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity126
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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