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113451-52-8 | 1-Pyrrolidinecarboxylic acid, 3-azido-, 1,1-dimethylethyl ester
CAS No: 113451-52-8 Catalog No: AG0008NQ MDL No:MFCD20257710
Product Description
Catalog Number:
AG0008NQ
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-azido-, 1,1-dimethylethyl ester
CAS Number:
113451-52-8
Molecular Formula:
C9H16N4O2
Molecular Weight:
212.2489
MDL Number:
MFCD20257710
IUPAC Name:
tert-butyl 3-azidopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H16N4O2/c1-9(2,3)15-8(14)13-5-4-7(6-13)11-12-10/h7H,4-6H2,1-3H3
InChI Key:
BRNQETRAMMATCR-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.253g/mol
Monoisotopic Mass:
212.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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