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Home > Other Heterocycles > 1306739-43-4
1306739-43-4 | tert-Butyl (9-benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl)carbamate
CAS No: 1306739-43-4 Catalog No: AG00HS6Y MDL No:MFCD19103497
Product Description
Catalog Number:
AG00HS6Y
Chemical Name:
tert-Butyl (9-benzyl-1-oxa-9-azaspiro[5.5]undec-4-yl)carbamate
CAS Number:
1306739-43-4
Molecular Formula:
C21H32N2O3
Molecular Weight:
360.4904
MDL Number:
MFCD19103497
IUPAC Name:
tert-butyl N-(9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-yl)carbamate
InChI:
InChI=1S/C21H32N2O3/c1-20(2,3)26-19(24)22-18-9-14-25-21(15-18)10-12-23(13-11-21)16-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3,(H,22,24)
InChI Key:
RSKGYBOMPHCYHD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCOC2(C1)CCN(CC2)Cc1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.498g/mol
Monoisotopic Mass:
360.241g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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