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869942-69-8 | 2-[(4-METHYLBENZYL)AMINO]-1-BUTANOL
CAS No: 869942-69-8 Catalog No: AG004KEC MDL No:MFCD04604725
Product Description
Catalog Number:
AG004KEC
Chemical Name:
2-[(4-METHYLBENZYL)AMINO]-1-BUTANOL
CAS Number:
869942-69-8
Molecular Formula:
C12H19NO
Molecular Weight:
193.2854
MDL Number:
MFCD04604725
IUPAC Name:
2-[(4-methylphenyl)methylamino]butan-1-ol
InChI:
InChI=1S/C12H19NO/c1-3-12(9-14)13-8-11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3
InChI Key:
FNVZESNQKGUUGN-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccc(cc1)C)CO
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.147g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
193.29g/mol
Monoisotopic Mass:
193.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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