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1040682-30-1 | tert-Butyl 3-amino-3-oxopropyl(benzyl)carbamate
CAS No: 1040682-30-1 Catalog No: AG01F9P9 MDL No:
Product Description
Catalog Number:
AG01F9P9
Chemical Name:
tert-Butyl 3-amino-3-oxopropyl(benzyl)carbamate
CAS Number:
1040682-30-1
Molecular Formula:
C15H22N2O3
Molecular Weight:
278.3468
IUPAC Name:
tert-butyl N-(3-amino-3-oxopropyl)-N-benzylcarbamate
InChI:
InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17(10-9-13(16)18)11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H2,16,18)
InChI Key:
LSKYFBDZJCYTOT-UHFFFAOYSA-N
SMILES:
O=C(N(Cc1ccccc1)CCC(=O)N)OC(C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.163g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.352g/mol
Monoisotopic Mass:
278.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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