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158951-54-3 | 1-Propanol, 3-[[(4-methylphenyl)methyl]amino]-
CAS No: 158951-54-3 Catalog No: AG001R20 MDL No:MFCD04539582
Product Description
Catalog Number:
AG001R20
Chemical Name:
1-Propanol, 3-[[(4-methylphenyl)methyl]amino]-
CAS Number:
158951-54-3
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD04539582
IUPAC Name:
3-[(4-methylphenyl)methylamino]propan-1-ol
InChI:
InChI=1S/C11H17NO/c1-10-3-5-11(6-4-10)9-12-7-2-8-13/h3-6,12-13H,2,7-9H2,1H3
InChI Key:
HVQMLTSZXHJZRK-UHFFFAOYSA-N
SMILES:
OCCCNCc1ccc(cc1)C
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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