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137449-89-9 | 1-Butanol, 4-[(4-amino-3-methylphenyl)propylamino]-
CAS No: 137449-89-9 Catalog No: AG00139X MDL No:
Product Description
Catalog Number:
AG00139X
Chemical Name:
1-Butanol, 4-[(4-amino-3-methylphenyl)propylamino]-
CAS Number:
137449-89-9
Molecular Formula:
C14H24N2O
Molecular Weight:
236.3532
IUPAC Name:
4-[3-(4-amino-3-methylphenyl)propylamino]butan-1-ol
InChI:
InChI=1S/C14H24N2O/c1-12-11-13(6-7-14(12)15)5-4-9-16-8-2-3-10-17/h6-7,11,16-17H,2-5,8-10,15H2,1H3
InChI Key:
QDPCKSNBNXLHTC-UHFFFAOYSA-N
SMILES:
OCCCCNCCCc1ccc(c(c1)C)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.189g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.359g/mol
Monoisotopic Mass:
236.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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