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885270-24-6 | tert-Butyl 3-(3-aminophenyl);pyrrolidine-1-carboxylate
CAS No: 885270-24-6 Catalog No: AG00486F MDL No:
Product Description
Catalog Number:
AG00486F
Chemical Name:
tert-Butyl 3-(3-aminophenyl);pyrrolidine-1-carboxylate
CAS Number:
885270-24-6
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
IUPAC Name:
tert-butyl 3-(3-aminophenyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-8-7-12(10-17)11-5-4-6-13(16)9-11/h4-6,9,12H,7-8,10,16H2,1-3H3
InChI Key:
DMCYAMSMJUIKKX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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