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131878-23-4 | Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS No: 131878-23-4 Catalog No: AG000ZUN MDL No:MFCD01321148
Product Description
Catalog Number:
AG000ZUN
Chemical Name:
Carbamic acid, N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS Number:
131878-23-4
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD01321148
IUPAC Name:
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)/t14-/m1/s1
InChI Key:
PHOIDJGLYWEUEK-CQSZACIVSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CCN(C1)Cc1ccccc1
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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