methyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride

methyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride

CAS: 1269634-11-8

Formula: C11H16ClNO3

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

IUPAC: methyl 3-amino-3-(3-methoxyphenyl)propanoate hydrochloride

InChI: InChI=1/C11H15NO3.ClH/c1-14-9-5-3-4-8(6-9)10(12)7-11(13)15-2;/h3-6,10H,7,12H2,1-2H3;1H

Composition: C (53.77%), H (6.56%), Cl (14.43%), N (5.70%), O (19.53%)

Molar Mass: 245.7

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	245.0818711
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NVKLERNXNLLGLM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.22
Topological Polar Surface Area	61.55
Polarizability	22.5
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1269634-11-8		$129.88-$675.90$129.88$166.45$235.81$675.90