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114214-73-2 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester
CAS No: 114214-73-2 Catalog No: AG000ASW MDL No:MFCD18917057
Product Description
Catalog Number:
AG000ASW
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-3-hydroxy-, 1,1-dimethylethyl ester
CAS Number:
114214-73-2
Molecular Formula:
C10H20N2O3
Molecular Weight:
216.2774
MDL Number:
MFCD18917057
IUPAC Name:
tert-butyl 3-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-5-4-10(14,6-11)7-12/h14H,4-7,11H2,1-3H3
InChI Key:
MCGDVVXFTUKWNU-UHFFFAOYSA-N
SMILES:
NCC1(O)CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.147g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.281g/mol
Monoisotopic Mass:
216.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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