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1228553-77-2 | 2H-1-Benzopyran-4-amine, 8-(1,1-dimethylethyl)-3,4-dihydro-, (4S)-
CAS No: 1228553-77-2 Catalog No: AG000JME MDL No:MFCD11035834
Product Description
Catalog Number:
AG000JME
Chemical Name:
2H-1-Benzopyran-4-amine, 8-(1,1-dimethylethyl)-3,4-dihydro-, (4S)-
CAS Number:
1228553-77-2
Molecular Formula:
C13H19NO
Molecular Weight:
205.2961
MDL Number:
MFCD11035834
IUPAC Name:
(4S)-8-tert-butyl-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C13H19NO/c1-13(2,3)10-6-4-5-9-11(14)7-8-15-12(9)10/h4-6,11H,7-8,14H2,1-3H3/t11-/m0/s1
InChI Key:
FNOIBLQXMSCOST-NSHDSACASA-N
SMILES:
N[C@H]1CCOc2c1cccc2C(C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
205.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.301g/mol
Monoisotopic Mass:
205.147g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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