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methyl 4-(1-aminoethyl)benzoate hydrochloride

methyl 4-(1-aminoethyl)benzoate hydrochloride

CAS: 934388-45-1

Formula: C10H14ClNO2

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

IUPAC: methyl 4-(1-aminoethyl)benzoate hydrochloride

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

Composition: C (55.69%), H (6.54%), Cl (16.44%), N (6.49%), O (14.84%)

Molar Mass: 215.68

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 215.0713064
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XOTRLVYRAWIVLC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.98
Topological Polar Surface Area 52.32
Polarizability 19.95
Ring Count 1
Rotatable Bond Count 3

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96% <2 Days 934388-45-1 $101.20-$2,290.80$101.20$112.70$143.75$172.50$572.70$2,290.80
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