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130631-59-3

130631-59-3 | Benzenepropanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-4-hydroxy-

CAS No: 130631-59-3 Catalog No: AG000UPS MDL No:

Product Description

Catalog Number:
AG000UPS
Chemical Name:
Benzenepropanamide, N-[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]-4-hydroxy-
CAS Number:
130631-59-3
Molecular Formula:
C19H34N4O2
Molecular Weight:
350.4989
IUPAC Name:
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-(4-hydroxyphenyl)propanamide;trihydrochloride
InChI:
InChI=1S/C19H34N4O2.3ClH/c20-11-3-14-21-12-1-2-13-22-15-4-16-23-19(25)10-7-17-5-8-18(24)9-6-17;;;/h5-6,8-9,21-22,24H,1-4,7,10-16,20H2,(H,23,25);3*1H
InChI Key:
BHMHJSOMDCSWBS-UHFFFAOYSA-N
SMILES:
NCCCNCCCCNCCCNC(=O)CCc1ccc(cc1)O

Properties

Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.198g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
459.881g/mol
Monoisotopic Mass:
458.198g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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