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861857-61-6 | 4-(3-(tert-Butyl)phenyl)tetrahydro-2H-pyran-4-amine
CAS No: 861857-61-6 Catalog No: AG004SW6 MDL No:MFCD14706261
Product Description
Catalog Number:
AG004SW6
Chemical Name:
4-(3-(tert-Butyl)phenyl)tetrahydro-2H-pyran-4-amine
CAS Number:
861857-61-6
Molecular Formula:
C15H23NO
Molecular Weight:
233.3492
MDL Number:
MFCD14706261
IUPAC Name:
4-(3-tert-butylphenyl)oxan-4-amine
InChI:
InChI=1S/C15H23NO/c1-14(2,3)12-5-4-6-13(11-12)15(16)7-9-17-10-8-15/h4-6,11H,7-10,16H2,1-3H3
InChI Key:
UVLFLNTYLDTXNQ-UHFFFAOYSA-N
SMILES:
NC1(CCOCC1)c1cccc(c1)C(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.178g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.355g/mol
Monoisotopic Mass:
233.178g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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