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138799-97-0 | Cyclohexaneacetic acid, 1-(aminomethyl)-, ethyl ester
CAS No: 138799-97-0 Catalog No: AG0019KQ MDL No:MFCD16070846
Product Description
Catalog Number:
AG0019KQ
Chemical Name:
Cyclohexaneacetic acid, 1-(aminomethyl)-, ethyl ester
CAS Number:
138799-97-0
Molecular Formula:
C11H21NO2
Molecular Weight:
199.2899
MDL Number:
MFCD16070846
IUPAC Name:
ethyl 2-[1-(aminomethyl)cyclohexyl]acetate
InChI:
InChI=1S/C11H21NO2/c1-2-14-10(13)8-11(9-12)6-4-3-5-7-11/h2-9,12H2,1H3
InChI Key:
PQCNPWAMVMHDID-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)CC(=O)OCC
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.157g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.294g/mol
Monoisotopic Mass:
199.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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