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156205-82-2 | 1H-Pyrrolizine-1,2,7-triol, hexahydro-3-[[(1-methylbutyl)amino]methyl]-
CAS No: 156205-82-2 Catalog No: AG001OKZ MDL No:
Product Description
Catalog Number:
AG001OKZ
Chemical Name:
1H-Pyrrolizine-1,2,7-triol, hexahydro-3-[[(1-methylbutyl)amino]methyl]-
CAS Number:
156205-82-2
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
IUPAC Name:
3-[(pentan-2-ylamino)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
InChI:
InChI=1S/C13H26N2O3/c1-3-4-8(2)14-7-9-12(17)13(18)11-10(16)5-6-15(9)11/h8-14,16-18H,3-7H2,1-2H3
InChI Key:
JWQAHJZHEXWYME-UHFFFAOYSA-N
SMILES:
CCCC(NCC1C(O)C(C2N1CCC2O)O)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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