(4-aminobutyl)(methyl)carbamoyl tert-butyl oxalate

(4-aminobutyl)(methyl)carbamoyl tert-butyl oxalate

CAS: 1187931-38-9

Formula: C12H22N2O5

SMILES: CN(CCCCN)C(=O)OC(=O)C(=O)OC(C)(C)C

IUPAC: (4-aminobutyl)(methyl)carbamoyl tert-butyl oxalate

InChI: InChI=1S/C12H22N2O5/c1-12(2,3)19-10(16)9(15)18-11(17)14(4)8-6-5-7-13/h5-8,13H2,1-4H3

Composition: C (52.54%), H (8.08%), N (10.21%), O (29.16%)

Molar Mass: 274.317

Atom Count: 41

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	274.152871816
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	HDBKJZHKTZLLBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.38
Topological Polar Surface Area	98.93
Polarizability	27.2
Ring Count	0
Rotatable Bond Count	9

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