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1588440-96-3 | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1588440-96-3 Catalog No: AG001QWV MDL No:MFCD27923424
Product Description
Catalog Number:
AG001QWV
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-hydroxy-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1588440-96-3
Molecular Formula:
C13H24N2O7
Molecular Weight:
320.3389
MDL Number:
MFCD27923424
IUPAC Name:
tert-butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate;oxalic acid
InChI:
InChI=1S/C11H22N2O3.C2H2O4/c1-10(2,3)16-9(14)13-6-4-11(15,8-12)5-7-13;3-1(4)2(5)6/h15H,4-8,12H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
HKSRFBZYCJTGCW-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NCC1(O)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.342g/mol
Monoisotopic Mass:
320.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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