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N-benzyloxetan-3-amine; oxalic acid

N-benzyloxetan-3-amine; oxalic acid

CAS: 1956341-96-0

Formula: C12H15NO5

SMILES: OC(=O)C(O)=O.C(NC1COC1)C1=CC=CC=C1

IUPAC: N-benzyloxetan-3-amine; oxalic acid

InChI: InChI=1S/C10H13NO.C2H2O4/c1-2-4-9(5-3-1)6-11-10-7-12-8-10;3-1(4)2(5)6/h1-5,10-11H,6-8H2;(H,3,4)(H,5,6)

Composition: C (56.91%), H (5.97%), N (5.53%), O (31.59%)

Molar Mass: 253.254

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.095022587
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FXVRJNNUVWIRMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.05
Topological Polar Surface Area 21.26
Polarizability 19.19
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1956341-96-0 $100.88-$399.74$100.88$175.28$399.74
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