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1253789-67-1 | Carbamic acid, N-(5-phenyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
CAS No: 1253789-67-1 Catalog No: AG000NL4 MDL No:MFCD17011824
Product Description
Catalog Number:
AG000NL4
Chemical Name:
Carbamic acid, N-(5-phenyl-3-pyrrolidinyl)-, 1,1-dimethylethyl ester
CAS Number:
1253789-67-1
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD17011824
IUPAC Name:
tert-butyl N-(5-phenylpyrrolidin-3-yl)carbamate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)
InChI Key:
NYHRWBNVAKQKGY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CNC(C1)c1ccccc1
Properties
Complexity:
306
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:
2
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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