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869942-54-1 | N-(4-ETHYLBENZYL)-2-BUTANAMINE
CAS No: 869942-54-1 Catalog No: AG004HDA MDL No:MFCD04604585
Product Description
Catalog Number:
AG004HDA
Chemical Name:
N-(4-ETHYLBENZYL)-2-BUTANAMINE
CAS Number:
869942-54-1
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
MDL Number:
MFCD04604585
IUPAC Name:
N-[(4-ethylphenyl)methyl]butan-2-amine
InChI:
InChI=1S/C13H21N/c1-4-11(3)14-10-13-8-6-12(5-2)7-9-13/h6-9,11,14H,4-5,10H2,1-3H3
InChI Key:
WDOYVFQXHDQETM-UHFFFAOYSA-N
SMILES:
CCC(NCc1ccc(cc1)CC)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.318g/mol
Monoisotopic Mass:
191.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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