tert-butyl 3-[(1S)-1-aminoethyl]benzoate

tert-butyl 3-[(1S)-1-aminoethyl]benzoate

CAS: 317829-77-9

Formula: C13H19NO2

SMILES: C[C@H](N)C1=CC=CC(=C1)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-[(1S)-1-aminoethyl]benzoate

InChI: InChI=1S/C13H19NO2/c1-9(14)10-6-5-7-11(8-10)12(15)16-13(2,3)4/h5-9H,14H2,1-4H3/t9-/m0/s1

Composition: C (70.56%), H (8.65%), N (6.33%), O (14.46%)

Molar Mass: 221.3

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.141578856
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	RMFJBOJFFIAEEX-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.78
Topological Polar Surface Area	52.32
Polarizability	25.48
Ring Count	1
Rotatable Bond Count	4

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