(2Z)-2-methyl-3-phe...

(2Z)-2-methyl-3-phenyl-N-prop-2-en-1-ylbut-2-enamide(CAS No. 56605-05-1)

(2Z)-2-methyl-3-phenyl-N-prop-2-en-1-ylbut-2-enamide(CAS No. 56605-05-1)

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Keywords

CINNAMAMIDE, N-ALLYL-alpha,beta-DIMETHYL-, (Z)- 56605-05-1 98%

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  • Appearance:Solid
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Details:

【Name】
(2Z)-2-methyl-3-phenyl-N-prop-2-en-1-ylbut-2-enamide
【Iupac name】
(Z)-2-methyl-3-phenyl-N-prop-2-enylbut-2-enamide
【CAS Registry number】
56605-05-1
【Synonyms】
(2Z)-N-Allyl-2-methyl-3-phenylbut-2-enamide
2-butenamide, 2-methyl-3-phenyl-N-2-propen-1-yl-, (2Z)-
【Molecular Formula】
C14H17NO (Products with the same molecular formula)
【Molecular Weight】
215.2909
【Inchi】
InChI=1/C14H17NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h4-9H,1,10H2,2-3H3,(H,15,16)/b12-11-
【Canonical SMILES】
CC(=C(C)C(=O)NCC=C)C1=CC=CC=C1
【Isomers smiles】
C/C(=C(\C)/C(=O)NCC=C)/C1=CC=CC=C1
Chemical and Physical Properties
【Density】
0.991g/cm3
【Boiling Point】
373.7°C at 760 mmHg
【Refractive Index】
1.53
【Flash Point】
225.6°C
【Computed Properties】
Molecular Weight:215.29088 [g/mol]
Molecular Formula:C14H17NO
XLogP3-AA:3.3
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:215.131014
MonoIsotopic Mass:215.131014
Topological Polar Surface Area:29.1
Heavy Atom Count:16
Formal Charge:0
Complexity:285
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:19

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