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23315-05-1 | 2-Butanol, 4-methoxy-3-[(1Z)-2-[(1Z)-1-octen-1-yl]-2-oxidodiazenyl]-, (2S,3S)-
CAS No: 23315-05-1 Catalog No: AG002MV0 MDL No:
Product Description
Catalog Number:
AG002MV0
Chemical Name:
2-Butanol, 4-methoxy-3-[(1Z)-2-[(1Z)-1-octen-1-yl]-2-oxidodiazenyl]-, (2S,3S)-
CAS Number:
23315-05-1
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
IUPAC Name:
[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-[(Z)-oct-1-enyl]-oxidoazanium
InChI:
InChI=1S/C13H26N2O3/c1-4-5-6-7-8-9-10-15(17)14-13(11-18-3)12(2)16/h9-10,12-13,16H,4-8,11H2,1-3H3/b10-9-,15-14?/t12-,13-/m0/s1
InChI Key:
BCPWSYQGYBTINM-ZABQTCLWSA-N
SMILES:
CCCCCCC=C/[N+](=N/C(C(O)C)COC)/[O-]
UNII:
227V1PL5TF
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
1
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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