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1289387-67-2 | 1-Piperidinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS No: 1289387-67-2 Catalog No: AG000YNI MDL No:MFCD09953351
Product Description
Catalog Number:
AG000YNI
Chemical Name:
1-Piperidinecarboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester
CAS Number:
1289387-67-2
Molecular Formula:
C11H20ClNO2
Molecular Weight:
233.7350
MDL Number:
MFCD09953351
IUPAC Name:
tert-butyl 2-(chloromethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C11H20ClNO2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-8H2,1-3H3
InChI Key:
NJEQIEAONVBZAW-UHFFFAOYSA-N
SMILES:
ClCC1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.118g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.736g/mol
Monoisotopic Mass:
233.118g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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