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Cumylamine

CAT: 0572-TRC-C834700-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C834700-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
585-32-0
Hazard Statement
Causes skin irritation.
Smiles
CC(C)(N)c1ccccc1
Molecular Formula
C9 H13 N
Molecular Weight
135.21
InChI
InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
Additionnal Information
IUPAC name: 2-phenylpropan-2-amine
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Cumylamine
CAS Number585-32-0
PubChem CID68509
IUPAC Name2-phenylpropan-2-amine
Molecular FormulaC9H13N
Molecular Weight135.21
XLogP1.6
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity101
SMILES
CC(C)(C1=CC=CC=C1)N
InChI
InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
InChIKey
KDFDOINBXBEOLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cumylamine
CAS: 585-32-0
CID: 68509
Formula: C9H13N
MW: 135.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.21
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass135.104799419
Monoisotopic Mass135.104799419
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity101
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

Alternative Products

CatalogName
163216Cumylamine

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