tert-butyl 2-[3-(aminomethyl)phenyl]acetate

tert-butyl 2-[3-(aminomethyl)phenyl]acetate

CAS: 885280-75-1

Formula: C13H19NO2

SMILES: CC(C)(C)OC(=O)CC1=CC=CC(CN)=C1

IUPAC: tert-butyl 2-[3-(aminomethyl)phenyl]acetate

InChI: InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)8-10-5-4-6-11(7-10)9-14/h4-7H,8-9,14H2,1-3H3

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	0
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	OVIMTIMRQGWSOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.41
Topological Polar Surface Area	52.32
Polarizability	25.51
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	885280-75-1		$150.65-$2,748.50$150.65$187.45$258.75$401.35$687.70$2,748.50