benzyl 2,6-diazabicyclo[3.2.0]heptane-2-carboxylate

benzyl 2,6-diazabicyclo[3.2.0]heptane-2-carboxylate

CAS: 2089651-80-7

Formula: C13H16N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CCC2NCC12

IUPAC: benzyl 2,6-diazabicyclo[3.2.0]heptane-2-carboxylate

InChI: InChI=1/C13H16N2O2/c16-13(15-7-6-11-12(15)8-14-11)17-9-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2

Composition: C (67.22%), H (6.94%), N (12.06%), O (13.78%)

Molar Mass: 232.283

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	232.121177763
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NKNKCQYVKIXJES-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.49
Topological Polar Surface Area	41.57
Polarizability	25.18
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	2089651-80-7		$1,127.00-$3,059.00$1,127.00$1,817.00$3,059.00$11,477.00