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1260804-42-9 | 1-Piperidinecarboxylic acid, 4-amino-4-(trifluoromethyl)-, phenylmethyl ester
CAS No: 1260804-42-9 Catalog No: AG000RCB MDL No:MFCD11848166
Product Description
Catalog Number:
AG000RCB
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-4-(trifluoromethyl)-, phenylmethyl ester
CAS Number:
1260804-42-9
Molecular Formula:
C14H17F3N2O2
Molecular Weight:
302.2922
MDL Number:
MFCD11848166
IUPAC Name:
benzyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H17F3N2O2/c15-14(16,17)13(18)6-8-19(9-7-13)12(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10,18H2
InChI Key:
KHTBPHFAXPTRFY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)(N)C(F)(F)F)OCc1ccccc1
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.297g/mol
Monoisotopic Mass:
302.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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