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889948-62-3 | [1-(4-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 889948-62-3 Catalog No: AG0046NM MDL No:
Product Description
Catalog Number:
AG0046NM
Chemical Name:
[1-(4-AMINO-PHENYL)-PYRROLIDIN-3-YLMETHYL]-CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
889948-62-3
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
tert-butyl N-[[1-(4-aminophenyl)pyrrolidin-3-yl]methyl]carbamate
InChI:
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)18-10-12-8-9-19(11-12)14-6-4-13(17)5-7-14/h4-7,12H,8-11,17H2,1-3H3,(H,18,20)
InChI Key:
IOROWRBFSNXDSS-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(C1)c1ccc(cc1)N
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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