methyl 3-amino-3-(2,6-dimethylphenyl)propanoate hydrochloride

methyl 3-amino-3-(2,6-dimethylphenyl)propanoate hydrochloride

CAS: 2565806-40-6

Formula: C12H18ClNO2

SMILES: Cl.COC(=O)CC(N)C1=C(C)C=CC=C1C

IUPAC: methyl 3-amino-3-(2,6-dimethylphenyl)propanoate hydrochloride

InChI: InChI=1/C12H17NO2.ClH/c1-8-5-4-6-9(2)12(8)10(13)7-11(14)15-3;/h4-6,10H,7,13H2,1-3H3;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	1
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	IAJINPVKDBLGLK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.84
Topological Polar Surface Area	52.32
Polarizability	23.51
Ring Count	1
Rotatable Bond Count	4

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