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N-Methylcinnamylamine

CAT: 0926-KCA96088-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-KCA96088-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60960-88-5
Smiles
CNCC=CC1=CC=CC=C1
Molecular Formula
C10H13N
Molecular Weight
147.22 g/mol
Controlled
No

Chemical Information

N-Methylcinnamylamine
CAS Number60960-88-5
PubChem CID6387604
IUPAC Name(E)-N-methyl-3-phenylprop-2-en-1-amine
Molecular FormulaC10H13N
Molecular Weight147.22
XLogP2.2
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity112
SMILES
CNC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C10H13N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-8,11H,9H2,1H3/b8-5+
InChIKey
RHPMSSCVPPONDM-VMPITWQZSA-N
Chemical Structure
2D Structure
2D structure of N-Methylcinnamylamine
CAS: 60960-88-5
CID: 6387604
Formula: C10H13N
MW: 147.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight147.22
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass147.104799419
Monoisotopic Mass147.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes