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1422058-10-3 | 5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CAS No: 1422058-10-3 Catalog No: AG01DJ5W MDL No:
Product Description
Catalog Number:
AG01DJ5W
Chemical Name:
5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CAS Number:
1422058-10-3
Molecular Formula:
C12H17N3
Molecular Weight:
203.2835
IUPAC Name:
5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
InChI:
InChI=1S/C12H17N3/c1-2-4-14-12(3-1)9-15-7-10-5-13-6-11(10)8-15/h1-4,10-11,13H,5-9H2
InChI Key:
NJEDZLFHTZHPLT-UHFFFAOYSA-N
SMILES:
N1CC2C(C1)CN(C2)Cc1ccccn1
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.289g/mol
Monoisotopic Mass:
203.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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