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1020571-45-2 | 1-Pyrrolidinecarboxylic acid, 3,4-diamino-, 1,1-dimethylethyl ester, (3S,4S)-
CAS No: 1020571-45-2 Catalog No: AG0006GN MDL No:MFCD14635703
Product Description
Catalog Number:
AG0006GN
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3,4-diamino-, 1,1-dimethylethyl ester, (3S,4S)-
CAS Number:
1020571-45-2
Molecular Formula:
C9H19N3O2
Molecular Weight:
201.2661
MDL Number:
MFCD14635703
IUPAC Name:
tert-butyl (3S,4S)-3,4-diaminopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12-4-6(10)7(11)5-12/h6-7H,4-5,10-11H2,1-3H3/t6-,7-/m0/s1
InChI Key:
MOFRNGKMXMQTQR-BQBZGAKWSA-N
SMILES:
N[C@H]1CN(C[C@@H]1N)C(=O)OC(C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.148g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.27g/mol
Monoisotopic Mass:
201.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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