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288313-99-5 | Pyrrolidine, 3,4-diazido-1-(phenylmethyl)-, (3S,4S)-
CAS No: 288313-99-5 Catalog No: AG002WP8 MDL No:
Product Description
Catalog Number:
AG002WP8
Chemical Name:
Pyrrolidine, 3,4-diazido-1-(phenylmethyl)-, (3S,4S)-
CAS Number:
288313-99-5
Molecular Formula:
C11H13N7
Molecular Weight:
243.2678
IUPAC Name:
(3S,4S)-3,4-diazido-1-benzylpyrrolidine
InChI:
InChI=1S/C11H13N7/c12-16-14-10-7-18(8-11(10)15-17-13)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11-/m0/s1
InChI Key:
SJTPNWLLDKCASW-QWRGUYRKSA-N
SMILES:
[N-]=[N+]=N[C@H]1CN(C[C@@H]1N=[N+]=[N-])Cc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
243.123g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.274g/mol
Monoisotopic Mass:
243.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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