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ethyl 2-[(2-cyanoethyl)amino]acetate hydrochloride

ethyl 2-[(2-cyanoethyl)amino]acetate hydrochloride

CAS: 1081523-75-2

Formula: C7H13ClN2O2

SMILES: Cl.CCOC(=O)CNCCC#N

IUPAC: ethyl 2-[(2-cyanoethyl)amino]acetate hydrochloride

InChI: InChI=1S/C7H12N2O2.ClH/c1-2-11-7(10)6-9-5-3-4-8;/h9H,2-3,5-6H2,1H3;1H

Composition: C (43.64%), H (6.80%), Cl (18.40%), N (14.54%), O (16.61%)

Molar Mass: 192.64

Atom Count: 25

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 192.0665554
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BBLNVDYKJCGRTM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.06
Topological Polar Surface Area 62.12
Polarizability 15.79
Ring Count 0
Rotatable Bond Count 6

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