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1009075-39-1 | 1-Pyrrolidinecarboxylic acid, 2-[(ethylamino)methyl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1009075-39-1 Catalog No: AG000361 MDL No:
Product Description
Catalog Number:
AG000361
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[(ethylamino)methyl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1009075-39-1
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
IUPAC Name:
tert-butyl (2S)-2-(ethylaminomethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-5-13-9-10-7-6-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/t10-/m0/s1
InChI Key:
RKMARTBPQCEJTJ-JTQLQIEISA-N
SMILES:
CCNC[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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