CN1CCN(CC1)C2=C(C=C(C(=C2)N)N)F
CAS: 174468-55-4
Name: 4-fluoro-5-(4-methylpiperazin-1-yl)benzene-1,2-diamine
SMILES: CN1CCN(CC1)C2=C(C=C(C(=C2)N)N)F

Molecular Processing

Molecular formula
C11H17FN4
Molecular weight
224.28
Exact mass
224.1437
XLogP
0.74
TPSA
58.52
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
64.93

Supplementary Information

InChIKey: CCAMLNGJMVMMOV-UHFFFAOYSA-N
Synonyms
174468-55-44-fluoro-5-(4-methylpiperazin-1-yl)benzene-1,2-diamineDTXSID70443107RefChem:292842DTXCID403939284-fluoro-5-(4-methyl-piperazin-1-yl)-benzene-1,2-diamine1,2-Benzenediamine, 4-fluoro-5-(4-methyl-1-piperazinyl)-SCHEMBL2312002C11H17FN4CCAMLNGJMVMMOV-UHFFFAOYSA-NAKOS016005256SB342705-fluoro-4-(4-methylpiperazino)-1,2-phenylenediamine4-fluoro-5-(4-methyl-piperazin-1-yl)benzene-1,2-diamine4-fluoro-5-(4-methylpiperazin-1-yl)-1,2-phenylenediamine
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