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Loline Impurity 2

CAT: 1596-AR-L07639-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L07639-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1315552-05-6
Molecular Formula
C7H12ClN4O. Cl
Molecular Weight
203.65 35.45
API Name
Loline

Chemical Information

(1R,2R,7R,7aS)-1-Azido-7-chlorohexahydro-1H-pyrrolizin-2-ol
CAS Number1315552-05-6
PubChem CID52918314
IUPAC Name(1R,2R,7R,8S)-1-azido-7-chloro-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
Molecular FormulaC7H11ClN4O
Molecular Weight202.64
XLogP1.2
Topological Polar Surface Area37.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity255
SMILES
C1CN2C[C@H]([C@@H]([C@H]2[C@@H]1Cl)N=[N+]=[N-])O
InChI
InChI=1S/C7H11ClN4O/c8-4-1-2-12-3-5(13)6(7(4)12)10-11-9/h4-7,13H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKey
MPRUEENYZUXHRP-MVIOUDGNSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R,7R,7aS)-1-Azido-7-chlorohexahydro-1H-pyrrolizin-2-ol
CAS: 1315552-05-6
CID: 52918314
Formula: C7H11ClN4O
MW: 202.64
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight202.64
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass202.0621387
Monoisotopic Mass202.0621387
Topological Polar Surface Area37.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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