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101857-33-4 | 1,2-Propanediamine, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS No: 101857-33-4 Catalog No: AG0005R4 MDL No:
Product Description
Catalog Number:
AG0005R4
Chemical Name:
1,2-Propanediamine, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-
CAS Number:
101857-33-4
Molecular Formula:
C8H18N2O2
Molecular Weight:
174.2407
IUPAC Name:
3-(oxan-2-yloxy)propane-1,2-diamine
InChI:
InChI=1S/C8H18N2O2/c9-5-7(10)6-12-8-3-1-2-4-11-8/h7-8H,1-6,9-10H2
InChI Key:
KUDOGXKYRYOEPB-UHFFFAOYSA-N
SMILES:
NCC(COC1CCCCO1)N
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.244g/mol
Monoisotopic Mass:
174.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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