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164149-27-3 | 1-Piperidinecarboxylic acid, 4-(3-bromopropyl)-, 1,1-dimethylethyl ester
CAS No: 164149-27-3 Catalog No: AG001UO3 MDL No:MFCD23701754
Product Description
Catalog Number:
AG001UO3
Chemical Name:
1-Piperidinecarboxylic acid, 4-(3-bromopropyl)-, 1,1-dimethylethyl ester
CAS Number:
164149-27-3
Molecular Formula:
C13H24BrNO2
Molecular Weight:
306.2392
MDL Number:
MFCD23701754
IUPAC Name:
tert-butyl 4-(3-bromopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C13H24BrNO2/c1-13(2,3)17-12(16)15-9-6-11(7-10-15)5-4-8-14/h11H,4-10H2,1-3H3
InChI Key:
ANKJSMCUWZFYKF-UHFFFAOYSA-N
SMILES:
BrCCCC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.244g/mol
Monoisotopic Mass:
305.099g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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