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125162-78-9 | 1,4,8,11-Tetraazacyclotetradecane-1-propanamine
CAS No: 125162-78-9 Catalog No: AG000NA2 MDL No:
Product Description
Catalog Number:
AG000NA2
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-1-propanamine
CAS Number:
125162-78-9
Molecular Formula:
C13H31N5
Molecular Weight:
257.4187
IUPAC Name:
3-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-amine
InChI:
InChI=1S/C13H31N5/c14-4-1-11-18-12-3-7-16-9-8-15-5-2-6-17-10-13-18/h15-17H,1-14H2
InChI Key:
JNCKAOBIPWIVLN-UHFFFAOYSA-N
SMILES:
NCCCN1CCNCCCNCCNCCC1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.258g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
257.426g/mol
Monoisotopic Mass:
257.258g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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