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123494-21-3 | Carbamic acid, [3-(methylamino)-3-oxopropyl]-, phenylmethyl ester (9CI)
CAS No: 123494-21-3 Catalog No: AG000KOM MDL No:
Product Description
Catalog Number:
AG000KOM
Chemical Name:
Carbamic acid, [3-(methylamino)-3-oxopropyl]-, phenylmethyl ester (9CI)
CAS Number:
123494-21-3
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
IUPAC Name:
benzyl N-[3-(methylamino)-3-oxopropyl]carbamate
InChI:
InChI=1S/C12H16N2O3/c1-13-11(15)7-8-14-12(16)17-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,13,15)(H,14,16)
InChI Key:
DJLKKWALPCPAGU-UHFFFAOYSA-N
SMILES:
CNC(=O)CCNC(=O)OCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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