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206768-91-4 | Benzenemethanamine, N-[(1R)-1-[(1E)-2-phenylethenyl]-3-buten-1-yl]-
CAS No: 206768-91-4 Catalog No: AG002IO0 MDL No:
Product Description
Catalog Number:
AG002IO0
Chemical Name:
Benzenemethanamine, N-[(1R)-1-[(1E)-2-phenylethenyl]-3-buten-1-yl]-
CAS Number:
206768-91-4
Molecular Formula:
C19H21N
Molecular Weight:
263.3767
IUPAC Name:
(3R)-N-benzyl-1-phenylhexa-1,5-dien-3-amine
InChI:
InChI=1S/C19H21N/c1-2-9-19(15-14-17-10-5-3-6-11-17)20-16-18-12-7-4-8-13-18/h2-8,10-15,19-20H,1,9,16H2/t19-/m1/s1
InChI Key:
BAWMASLVKJPEBZ-LJQANCHMSA-N
SMILES:
C=CC[C@H](/C=C/c1ccccc1)NCc1ccccc1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
263.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.384g/mol
Monoisotopic Mass:
263.167g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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