ethyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride

ethyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride

CAS: 93447-77-9

Formula: C9H14ClNO2S

SMILES: Cl.CCOC(=O)CC(N)C1=CC=CS1

IUPAC: ethyl 3-amino-3-(thiophen-2-yl)propanoate hydrochloride

InChI: InChI=1/C9H13NO2S.ClH/c1-2-12-9(11)6-7(10)8-4-3-5-13-8;/h3-5,7H,2,6,10H2,1H3;1H

Composition: C (45.86%), H (5.99%), Cl (15.04%), N (5.94%), O (13.57%), S (13.60%)

Molar Mass: 235.73

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	235.0433776
Formal Charge	0
FSP3	0.44
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	PMFMTHGHPAJDLJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.39
Topological Polar Surface Area	52.32
Polarizability	20.5
Ring Count	1
Rotatable Bond Count	5

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