Name: 4-(1,4-dioxan-2-yl)butan-1-amine
SMILES:
C1COC(CO1)CCCCNMolecular Processing
Molecular formula
C8H17NO2
Molecular weight
159.23
Exact mass
159.1259
XLogP
0.53
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
43.46
Supplementary Information
InChIKey: NKPCWBPSWOYAFD-UHFFFAOYSA-N
Synonyme
6-ethylenedioxy-1-hexylamineSCHEMBL9557434NKPCWBPSWOYAFD-UHFFFAOYSA-N
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