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3-phenylbutan-2-amine

CAT: 0572-TRC-P321973-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P321973-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21906-17-2
Hazard Statement
Combustible liquid and vapour.
Smiles
CC(C1=CC=CC=C1)C(C)N
Molecular Formula
C10H15N
Molecular Weight
149.23
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

alpha,beta-Dimethylbenzeneethanamine
CAS Number21906-17-2
PubChem CID210912
IUPAC Name3-phenylbutan-2-amine
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity105
SMILES
CC(C1=CC=CC=C1)C(C)N
InChI
InChI=1S/C10H15N/c1-8(9(2)11)10-6-4-3-5-7-10/h3-9H,11H2,1-2H3
InChIKey
BKRHEVJTTWAYFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha,beta-Dimethylbenzeneethanamine
CAS: 21906-17-2
CID: 210912
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
WAA90617-013-Phenylbutan-2-amine
ZBA83403-013-Methyl-3-phenylbutan-2-amine
JBA57788-012-Phenylbutan-1-amine
OR5082-014-Phenylbutan-2-amine
NBA13556-013-Phenylbutan-1-amine
WHA10601-013-Methyl-2-phenylbutan-1-amine
WBA114163-Methyl-1-phenylbutan-2-amine
SCA30937-013,3-Dimethyl-1-phenylbutan-2-amine
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