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137957-41-6 | Benzenemethanamine, N-(1,1-dimethylethyl)-4-ethyl-
CAS No: 137957-41-6 Catalog No: AG0017QP MDL No:MFCD04576216
Product Description
Catalog Number:
AG0017QP
Chemical Name:
Benzenemethanamine, N-(1,1-dimethylethyl)-4-ethyl-
CAS Number:
137957-41-6
Molecular Formula:
C13H21N
Molecular Weight:
191.3125
MDL Number:
MFCD04576216
IUPAC Name:
N-[(4-ethylphenyl)methyl]-2-methylpropan-2-amine
InChI:
InChI=1S/C13H21N/c1-5-11-6-8-12(9-7-11)10-14-13(2,3)4/h6-9,14H,5,10H2,1-4H3
InChI Key:
LHRKMPXZPPPZPW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)CNC(C)(C)C
Properties
Complexity:
149
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:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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