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Home > Other Heterocycles > 144282-37-1
144282-37-1 | Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
CAS No: 144282-37-1 Catalog No: AG001J89 MDL No:MFCD17214772
Product Description
Catalog Number:
AG001J89
Chemical Name:
Carbamic acid, N-[(7S)-5-(phenylmethyl)-5-azaspiro[2.4]hept-7-yl]-, 1,1-dimethylethyl ester
CAS Number:
144282-37-1
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
MDL Number:
MFCD17214772
IUPAC Name:
tert-butyl N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate
InChI:
InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m1/s1
InChI Key:
UCBLMUMETZZNIZ-OAHLLOKOSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CN(CC21CC2)Cc1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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