ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate hydrochloride

ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate hydrochloride

CAS: 944467-98-5

Formula: C12H20ClNO3

SMILES: Cl.CCOC(=O)C1=C(CN)OC(=C1)C(C)(C)C

IUPAC: ethyl 2-(aminomethyl)-5-tert-butylfuran-3-carboxylate hydrochloride

InChI: InChI=1S/C12H19NO3.ClH/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13;/h6H,5,7,13H2,1-4H3;1H

Composition: C (55.07%), H (7.70%), Cl (13.54%), N (5.35%), O (18.34%)

Molar Mass: 261.75

Atom Count: 37

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.1131712
Formal Charge	0
FSP3	0.58
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DRGGIWGQERPCHX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.24
Topological Polar Surface Area	65.46
Polarizability	24.12
Ring Count	1
Rotatable Bond Count	5

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