methyl 4-[(1S)-1-aminoethyl]benzoate hydrochloride

methyl 4-[(1S)-1-aminoethyl]benzoate hydrochloride

CAS: 847728-91-0

Formula: C10H14ClNO2

SMILES: Cl.COC(=O)C1=CC=C(C=C1)[C@H](C)N

IUPAC: methyl 4-[(1S)-1-aminoethyl]benzoate hydrochloride

InChI: InChI=1S/C10H13NO2.ClH/c1-7(11)8-3-5-9(6-4-8)10(12)13-2;/h3-7H,11H2,1-2H3;1H/t7-;/m0./s1

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-FJXQXJEOSA-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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