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127723-03-9

127723-03-9 | 1H-1,4,7-Triazonine-1-ethanamine, octahydro-

CAS No: 127723-03-9 Catalog No: AG000XC8 MDL No:

Product Description

Catalog Number:
AG000XC8
Chemical Name:
1H-1,4,7-Triazonine-1-ethanamine, octahydro-
CAS Number:
127723-03-9
Molecular Formula:
C8H20N4
Molecular Weight:
172.2712
IUPAC Name:
2-(1,4,7-triazonan-1-yl)ethanamine
InChI:
InChI=1S/C8H20N4/c9-1-6-12-7-4-10-2-3-11-5-8-12/h10-11H,1-9H2
InChI Key:
MUGKPJBGLHSCED-UHFFFAOYSA-N
SMILES:
NCCN1CCNCCNCC1

Properties

Complexity:
97.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.169g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
172.276g/mol
Monoisotopic Mass:
172.169g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  

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