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139693-30-4 | Benzenemethanamine, 3,5-bis(1,1-dimethylethyl)-
CAS No: 139693-30-4 Catalog No: AG001BIQ MDL No:
Product Description
Catalog Number:
AG001BIQ
Chemical Name:
Benzenemethanamine, 3,5-bis(1,1-dimethylethyl)-
CAS Number:
139693-30-4
Molecular Formula:
C15H25N
Molecular Weight:
219.3657
IUPAC Name:
(3,5-ditert-butylphenyl)methanamine
InChI:
InChI=1S/C15H25N/c1-14(2,3)12-7-11(10-16)8-13(9-12)15(4,5)6/h7-9H,10,16H2,1-6H3
InChI Key:
NATQQALKFOXQQB-UHFFFAOYSA-N
SMILES:
NCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.199g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.372g/mol
Monoisotopic Mass:
219.199g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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