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CHEMBRDG-BB 4024832

CAT: 0931-T7279-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7279-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
52007-97-3
Bioactivity
CHEMBRDG-BB 4024832, with CAS No. 52007-97-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. CHEMBRDG-BB 4024832 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CC(C)NCCC1=CC=CC=C1
Molecular Formula
C11H17N
Molecular Weight
163.2594
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-phenylethyl)propan-2-amine
CAS Number52007-97-3
PubChem CID10154198
IUPAC NameN-(2-phenylethyl)propan-2-amine
Molecular FormulaC11H17N
Molecular Weight163.26
XLogP2.6
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity104
SMILES
CC(C)NCCC1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKey
HNPAEWJKFXEUDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-phenylethyl)propan-2-amine
CAS: 52007-97-3
CID: 10154198
Formula: C11H17N
MW: 163.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.26
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass163.136099547
Monoisotopic Mass163.136099547
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity104
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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