methyl 5-(aminomethyl)-2-methylbenzoate

methyl 5-(aminomethyl)-2-methylbenzoate

CAS: 1430839-93-2

Formula: C10H13NO2

SMILES: COC(=O)C1=CC(CN)=CC=C1C

IUPAC: methyl 5-(aminomethyl)-2-methylbenzoate

InChI: InChI=1S/C10H13NO2/c1-7-3-4-8(6-11)5-9(7)10(12)13-2/h3-5H,6,11H2,1-2H3

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FGRRSOSNUHLOLL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.6
Topological Polar Surface Area	52.32
Polarizability	19.87
Ring Count	1
Rotatable Bond Count	3

Suppliers

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<2 Days	1430839-93-2		$201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70