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15026-69-4 | 1-Butanol, 4-[bis(2-hydroxyethyl)amino]-
CAS No: 15026-69-4 Catalog No: AG001MG8 MDL No:
Product Description
Catalog Number:
AG001MG8
Chemical Name:
1-Butanol, 4-[bis(2-hydroxyethyl)amino]-
CAS Number:
15026-69-4
Molecular Formula:
C8H19NO3
Molecular Weight:
177.2414
IUPAC Name:
4-[bis(2-hydroxyethyl)amino]butan-1-ol
InChI:
InChI=1S/C8H19NO3/c10-6-2-1-3-9(4-7-11)5-8-12/h10-12H,1-8H2
InChI Key:
SEFUKCQPRQAMAD-UHFFFAOYSA-N
SMILES:
OCCCCN(CCO)CCO
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
177.244g/mol
Monoisotopic Mass:
177.136g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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