methyl 3-(1-amino-2-hydroxyethyl)benzoate hydrochloride

methyl 3-(1-amino-2-hydroxyethyl)benzoate hydrochloride

CAS: 1391515-70-0

Formula: C10H14ClNO3

SMILES: Cl.COC(=O)C1=CC(=CC=C1)C(N)CO

IUPAC: methyl 3-(1-amino-2-hydroxyethyl)benzoate hydrochloride

InChI: InChI=1/C10H13NO3.ClH/c1-14-10(13)8-4-2-3-7(5-8)9(11)6-12;/h2-5,9,12H,6,11H2,1H3;1H

Composition: C (51.84%), H (6.09%), Cl (15.30%), N (6.05%), O (20.72%)

Molar Mass: 231.68

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	231.066221
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SWIJKZSHJUALNL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.52
Topological Polar Surface Area	72.55
Polarizability	20.58
Ring Count	1
Rotatable Bond Count	4

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1391515-70-0		$51.35-$9,128.93$51.35$63.37$86.31$1,141.66$5,134.75$9,128.93