200,000+ products from a single source!
sales@angenechem.com
114124-34-4 | 2-Hexenoic acid, 4-[(phenylmethyl)amino]-, methyl ester, (2E)-
CAS No: 114124-34-4 Catalog No: AG000AN8 MDL No:
Product Description
Catalog Number:
AG000AN8
Chemical Name:
2-Hexenoic acid, 4-[(phenylmethyl)amino]-, methyl ester, (2E)-
CAS Number:
114124-34-4
Molecular Formula:
C14H19NO2
Molecular Weight:
233.3062
IUPAC Name:
methyl 4-(benzylamino)hex-2-enoate
InChI:
InChI=1S/C14H19NO2/c1-3-13(9-10-14(16)17-2)15-11-12-7-5-4-6-8-12/h4-10,13,15H,3,11H2,1-2H3
InChI Key:
OCVBUUOKTOQARE-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccccc1)/C=C/C(=O)OC
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.311g/mol
Monoisotopic Mass:
233.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.