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1263378-20-6 | Cyclohexanecarboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CAS No: 1263378-20-6 Catalog No: AG000SNJ MDL No:MFCD18432498
Product Description
Catalog Number:
AG000SNJ
Chemical Name:
Cyclohexanecarboxylic acid, 1-(aminomethyl)-, 1,1-dimethylethyl ester
CAS Number:
1263378-20-6
Molecular Formula:
C12H23NO2
Molecular Weight:
213.3165
MDL Number:
MFCD18432498
IUPAC Name:
tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate
InChI:
InChI=1S/C12H23NO2/c1-11(2,3)15-10(14)12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3
InChI Key:
ANWILIYBQWXPIB-UHFFFAOYSA-N
SMILES:
NCC1(CCCCC1)C(=O)OC(C)(C)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.173g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.321g/mol
Monoisotopic Mass:
213.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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