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89538-65-8 | Benzenemethanamine, 4-(1,1-dimethylethyl)-a-methyl-
CAS No: 89538-65-8 Catalog No: AG0040JT MDL No:MFCD03419831
Product Description
Catalog Number:
AG0040JT
Chemical Name:
Benzenemethanamine, 4-(1,1-dimethylethyl)-a-methyl-
CAS Number:
89538-65-8
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
MDL Number:
MFCD03419831
IUPAC Name:
1-(4-tert-butylphenyl)ethanamine
InChI:
InChI=1S/C12H19N/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-9H,13H2,1-4H3
InChI Key:
HZUDLUBTTHIVTP-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(C)(C)C)N
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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