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786633-34-9 | 1H-1,4,7-Triazonine-1-acetic acid, 4-(3-aminopropyl)octahydro-
CAS No: 786633-34-9 Catalog No: AG005K0I MDL No:
Product Description
Catalog Number:
AG005K0I
Chemical Name:
1H-1,4,7-Triazonine-1-acetic acid, 4-(3-aminopropyl)octahydro-
CAS Number:
786633-34-9
Molecular Formula:
C11H24N4O2
Molecular Weight:
244.3339
IUPAC Name:
2-[4-(3-aminopropyl)-1,4,7-triazonan-1-yl]acetic acid
InChI:
InChI=1S/C11H24N4O2/c12-2-1-5-14-6-3-13-4-7-15(9-8-14)10-11(16)17/h13H,1-10,12H2,(H,16,17)
InChI Key:
HNNWRLKFNNPTPP-UHFFFAOYSA-N
SMILES:
NCCCN1CCNCCN(CC1)CC(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.19g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.339g/mol
Monoisotopic Mass:
244.19g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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