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(E)-N-Methylcinnamylamine-d3

CAT: 0572-TRC-M294622-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294622-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1795142-11-8
Synonyms
(2E)-N-(Methyl-d3)-3-phenyl-2-propen-1-amine; (E)-N-(Methyl-d3)-3-phenyl-2-propen-1-amine;
Hazard Statement
No Data Available
Smiles
Cl.[2H]C([2H])([2H])NC\C=C\c1ccccc1
Molecular Formula
C10H11D3ClN
Molecular Weight
186.7
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(E)-N-Methylcinnamylamine-d3
CAS Number1795142-11-8
PubChem CID71750263
IUPAC Name(E)-3-phenyl-N-(trideuteriomethyl)prop-2-en-1-amine;hydrochloride
Molecular FormulaC10H14ClN
Molecular Weight186.69
Topological Polar Surface Area12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity112
SMILES
[2H]C([2H])([2H])NC/C=C/C1=CC=CC=C1.Cl
InChI
InChI=1S/C10H13N.ClH/c1-11-9-5-8-10-6-3-2-4-7-10;/h2-8,11H,9H2,1H3;1H/b8-5+;/i1D3;
InChIKey
XGJZECMFJCEEJU-ZRHZDPIFSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-Methylcinnamylamine-d3
CAS: 1795142-11-8
CID: 71750263
Formula: C10H14ClN
MW: 186.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass186.1003074
Monoisotopic Mass186.1003074
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity112
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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