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144337-77-9 | 1-Butanol, 4-[(4-amino-3-methylphenyl)methylamino]-
CAS No: 144337-77-9 Catalog No: AG001JD2 MDL No:
Product Description
Catalog Number:
AG001JD2
Chemical Name:
1-Butanol, 4-[(4-amino-3-methylphenyl)methylamino]-
CAS Number:
144337-77-9
Molecular Formula:
C12H20N2O
Molecular Weight:
208.3000
IUPAC Name:
4-[(4-amino-3-methylphenyl)methylamino]butan-1-ol
InChI:
InChI=1S/C12H20N2O/c1-10-8-11(4-5-12(10)13)9-14-6-2-3-7-15/h4-5,8,14-15H,2-3,6-7,9,13H2,1H3
InChI Key:
ARENVZAKFXVKER-UHFFFAOYSA-N
SMILES:
OCCCCNCc1ccc(c(c1)C)N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
208.305g/mol
Monoisotopic Mass:
208.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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