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113659-05-5 | Benzenemethanamine, N-[[(hexylamino)carbonyl]oxy]-N-(phenylmethyl)- (9CI)
CAS No: 113659-05-5 Catalog No: AG00097X MDL No:
Product Description
Catalog Number:
AG00097X
Chemical Name:
Benzenemethanamine, N-[[(hexylamino)carbonyl]oxy]-N-(phenylmethyl)- (9CI)
CAS Number:
113659-05-5
Molecular Formula:
C21H28N2O2
Molecular Weight:
340.4592
IUPAC Name:
(dibenzylamino) N-hexylcarbamate
InChI:
InChI=1S/C21H28N2O2/c1-2-3-4-11-16-22-21(24)25-23(17-19-12-7-5-8-13-19)18-20-14-9-6-10-15-20/h5-10,12-15H,2-4,11,16-18H2,1H3,(H,22,24)
InChI Key:
WDLHVPRYFUBZDF-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)ON(Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.215g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.467g/mol
Monoisotopic Mass:
340.215g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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