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102015-66-7 | 2-Pentanol, 1-[[2-[(2-aminoethyl)amino]ethyl]amino]-2,4,4-trimethyl-
CAS No: 102015-66-7 Catalog No: AG0006C3 MDL No:
Product Description
Catalog Number:
AG0006C3
Chemical Name:
2-Pentanol, 1-[[2-[(2-aminoethyl)amino]ethyl]amino]-2,4,4-trimethyl-
CAS Number:
102015-66-7
Molecular Formula:
C12H29N3O
Molecular Weight:
231.3782
IUPAC Name:
1-[2-(2-aminoethylamino)ethylamino]-2,4,4-trimethylpentan-2-ol
InChI:
InChI=1S/C12H29N3O/c1-11(2,3)9-12(4,16)10-15-8-7-14-6-5-13/h14-16H,5-10,13H2,1-4H3
InChI Key:
KIRRCOJIQBDSEW-UHFFFAOYSA-N
SMILES:
NCCNCCNCC(CC(C)(C)C)(O)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.231g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.384g/mol
Monoisotopic Mass:
231.231g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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