ethyl 3-[4-(aminomethyl)phenyl]propanoate hydrochloride

ethyl 3-[4-(aminomethyl)phenyl]propanoate hydrochloride

CAS: 61630-10-2

Formula: C12H18ClNO2

SMILES: Cl.CCOC(=O)CCC1=CC=C(CN)C=C1

IUPAC: ethyl 3-[4-(aminomethyl)phenyl]propanoate hydrochloride

InChI: InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)8-7-10-3-5-11(9-13)6-4-10;/h3-6H,2,7-9,13H2,1H3;1H

Composition: C (59.14%), H (7.44%), Cl (14.54%), N (5.75%), O (13.13%)

Molar Mass: 243.73

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.1026065
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QDMDVIHPVBYQTL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.96
Topological Polar Surface Area	52.32
Polarizability	23.66
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	61630-10-2		$157.55-$3,185.50$157.55$201.25$286.35$457.70$802.70$3,185.50