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153749-89-4 | N-Boc-2-Cyanopiperidine
CAS No: 153749-89-4 Catalog No: AG00367E MDL No:MFCD01861221
Product Description
Catalog Number:
AG00367E
Chemical Name:
N-Boc-2-Cyanopiperidine
CAS Number:
153749-89-4
Molecular Formula:
C11H18N2O2
Molecular Weight:
210.2728
MDL Number:
MFCD01861221
IUPAC Name:
tert-butyl 2-cyanopiperidine-1-carboxylate
InChI:
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-4-6-9(13)8-12/h9H,4-7H2,1-3H3
InChI Key:
LKAJZBMOVZIKHA-UHFFFAOYSA-N
SMILES:
N#CC1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.137g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.277g/mol
Monoisotopic Mass:
210.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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