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207348-63-8 | 1,3-Propanediamine, N1-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)-
CAS No: 207348-63-8 Catalog No: AG002IZK MDL No:
Product Description
Catalog Number:
AG002IZK
Chemical Name:
1,3-Propanediamine, N1-(1,4-dioxaspiro[4.5]dec-2-ylmethyl)-
CAS Number:
207348-63-8
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
IUPAC Name:
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)propane-1,3-diamine
InChI:
InChI=1S/C12H24N2O2/c13-7-4-8-14-9-11-10-15-12(16-11)5-2-1-3-6-12/h11,14H,1-10,13H2
InChI Key:
UTFONDPKLKJUJW-UHFFFAOYSA-N
SMILES:
NCCCNCC1COC2(O1)CCCCC2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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