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1022605-11-3 | Carbamic acid, N-[4-(4-methylphenyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS No: 1022605-11-3 Catalog No: AG00071V MDL No:MFCD05662446
Product Description
Catalog Number:
AG00071V
Chemical Name:
Carbamic acid, N-[4-(4-methylphenyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1022605-11-3
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD05662446
IUPAC Name:
tert-butyl N-[4-(4-methylphenyl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C16H24N2O2/c1-11-5-7-12(8-6-11)13-9-17-10-14(13)18-15(19)20-16(2,3)4/h5-8,13-14,17H,9-10H2,1-4H3,(H,18,19)
InChI Key:
KDBWMCGWFKBCFT-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CNCC1c1ccc(cc1)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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