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102356-52-5 | 2-Propanol, 1-[(2-aminoethyl)amino]-3-butoxy-
CAS No: 102356-52-5 Catalog No: AG000794 MDL No:
Product Description
Catalog Number:
AG000794
Chemical Name:
2-Propanol, 1-[(2-aminoethyl)amino]-3-butoxy-
CAS Number:
102356-52-5
Molecular Formula:
C9H22N2O2
Molecular Weight:
190.2832
IUPAC Name:
1-(2-aminoethylamino)-3-butoxypropan-2-ol
InChI:
InChI=1S/C9H22N2O2/c1-2-3-6-13-8-9(12)7-11-5-4-10/h9,11-12H,2-8,10H2,1H3
InChI Key:
MOLASALLZSDMCN-UHFFFAOYSA-N
SMILES:
CCCCOCC(CNCCN)O
NSC Number:
88223
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.168g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.287g/mol
Monoisotopic Mass:
190.168g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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