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88977-79-1 | Butanoic acid, 4-[[3-[(3-aminopropyl)amino]propyl]amino]-4-oxo-
CAS No: 88977-79-1 Catalog No: AG0045KJ MDL No:
Product Description
Catalog Number:
AG0045KJ
Chemical Name:
Butanoic acid, 4-[[3-[(3-aminopropyl)amino]propyl]amino]-4-oxo-
CAS Number:
88977-79-1
Molecular Formula:
C10H21N3O3
Molecular Weight:
231.2920
IUPAC Name:
4-[3-(3-aminopropylamino)propylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H21N3O3/c11-5-1-6-12-7-2-8-13-9(14)3-4-10(15)16/h12H,1-8,11H2,(H,13,14)(H,15,16)
InChI Key:
ARPCOCUIVKTKCR-UHFFFAOYSA-N
SMILES:
NCCCNCCCNC(=O)CCC(=O)O
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.296g/mol
Monoisotopic Mass:
231.158g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4
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