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1217702-57-2 | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-
CAS No: 1217702-57-2 Catalog No: AG0015WA MDL No:
Product Description
Catalog Number:
AG0015WA
Chemical Name:
1-Piperidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
1217702-57-2
Molecular Formula:
C11H23ClN2O2
Molecular Weight:
250.7655
IUPAC Name:
tert-butyl (3S)-3-(aminomethyl)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C11H22N2O2.ClH/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13;/h9H,4-8,12H2,1-3H3;1H/t9-;/m0./s1
InChI Key:
BHNNXYMAMJEVAA-FVGYRXGTSA-N
SMILES:
NC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C.Cl
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.145g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.767g/mol
Monoisotopic Mass:
250.145g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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