ethyl 3-(heptylamino)propanoate

ethyl 3-(heptylamino)propanoate

CAS: 85553-27-1

Formula: C12H25NO2

SMILES: CCCCCCCNCCC(=O)OCC

IUPAC: ethyl 3-(heptylamino)propanoate

InChI: InChI=1S/C12H25NO2/c1-3-5-6-7-8-10-13-11-9-12(14)15-4-2/h13H,3-11H2,1-2H3

Composition: C (66.93%), H (11.70%), N (6.50%), O (14.86%)

Molar Mass: 215.337

Atom Count: 40

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	215.188529049
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	REFIFNNSZWZNAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.67
Topological Polar Surface Area	38.33
Polarizability	25.12
Ring Count	0
Rotatable Bond Count	11

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