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85506-92-9 | N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate
CAS No: 85506-92-9 Catalog No: AG004S4A MDL No:
Product Description
Catalog Number:
AG004S4A
Chemical Name:
N-Benzyl-N-methyl-2,3-pentadien-1-amine oxalate
CAS Number:
85506-92-9
Molecular Formula:
C15H19NO4
Molecular Weight:
277.3157
IUPAC Name:
N-benzyl-N-methylpenta-2,3-dien-1-amine;oxalic acid
InChI:
InChI=1S/C13H17N.C2H2O4/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13;3-1(4)2(5)6/h3,5-10H,11-12H2,1-2H3;(H,3,4)(H,5,6)
InChI Key:
CKRHSNRYJUZWNK-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CC=C=CCN(Cc1ccccc1)C
NSC Number:
309705
Properties
Complexity:
267
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.32g/mol
Monoisotopic Mass:
277.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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