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1-Methyl-3-phenylpropylamine

CAT: 0013-GTR19250856Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250856Size:1 g
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Description
1-Methyl-3-phenylpropylamine
CAS Number
22374-89-6
Product Name Alternative
Compound PDK0127
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (N) CCc1ccccc1
Molecular Formula
C10H15N
Molecular Weight
149.2328
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Methyl-3-phenylpropylamine

urinary metabolite of labetalol; structure given in first source

CAS Number22374-89-6
PubChem CID31160
IUPAC Name4-phenylbutan-2-amine
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity95
SMILES
CC(CCC1=CC=CC=C1)N
InChI
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3
InChIKey
WECUIGDEWBNQJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Methyl-3-phenylpropylamine
CAS: 22374-89-6
CID: 31160
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 Count3
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity95
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

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TRC-M325470-25G1-Methyl-3-phenylpropylamine
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