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100618-31-3 | Carbamic acid, N-(4-phenylbutyl)-, ethyl ester
CAS No: 100618-31-3 Catalog No: AG0002HR MDL No:
Product Description
Catalog Number:
AG0002HR
Chemical Name:
Carbamic acid, N-(4-phenylbutyl)-, ethyl ester
CAS Number:
100618-31-3
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
ethyl N-(4-phenylbutyl)carbamate
InChI:
InChI=1S/C13H19NO2/c1-2-16-13(15)14-11-7-6-10-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,14,15)
InChI Key:
RQHUJXFXBPICPK-UHFFFAOYSA-N
SMILES:
CCOC(=O)NCCCCc1ccccc1
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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