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872462-23-2 | Acetic acid, [4-[2-amino-3-[bis(2-aminoethyl)amino]propyl]phenoxy]-
CAS No: 872462-23-2 Catalog No: AG004J8V MDL No:
Product Description
Catalog Number:
AG004J8V
Chemical Name:
Acetic acid, [4-[2-amino-3-[bis(2-aminoethyl)amino]propyl]phenoxy]-
CAS Number:
872462-23-2
Molecular Formula:
C15H26N4O3
Molecular Weight:
310.3919
IUPAC Name:
2-[4-[2-amino-3-[bis(2-aminoethyl)amino]propyl]phenoxy]acetic acid
InChI:
InChI=1S/C15H26N4O3/c16-5-7-19(8-6-17)10-13(18)9-12-1-3-14(4-2-12)22-11-15(20)21/h1-4,13H,5-11,16-18H2,(H,20,21)
InChI Key:
BWPQMSBTWKVTJJ-UHFFFAOYSA-N
SMILES:
NCCN(CC(Cc1ccc(cc1)OCC(=O)O)N)CCN
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
310.398g/mol
Monoisotopic Mass:
310.2g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
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