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1258641-32-5 | 1-Piperidinecarboxylic acid, 2-(aminoiminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1258641-32-5 Catalog No: AG000OVK MDL No:MFCD13489546
Product Description
Catalog Number:
AG000OVK
Chemical Name:
1-Piperidinecarboxylic acid, 2-(aminoiminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1258641-32-5
Molecular Formula:
C11H22ClN3O2
Molecular Weight:
263.7643
MDL Number:
MFCD13489546
IUPAC Name:
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]methylidene]azanium;chloride
InChI:
InChI=1S/C11H21N3O2.ClH/c1-11(2,3)16-10(15)14-7-5-4-6-8(14)9(12)13;/h8H,4-7H2,1-3H3,(H3,12,13);1H
InChI Key:
SMUSASNRKJUNEN-UHFFFAOYSA-N
SMILES:
NN=CC1CCCCN1C(=O)OC(C)(C)C.Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.14g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.766g/mol
Monoisotopic Mass:
263.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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