COC(=O)C1=CC=CC(=C1C(=O)OC)CN.Cl
CAS: 444287-37-0
Название: dimethyl 3-(aminomethyl)benzene-1,2-dicarboxylate;hydrochloride
SMILES: COC(=O)C1=CC=CC(=C1C(=O)OC)CN.Cl

Molecular Processing

Molecular formula
C11H14ClNO4
Molecular weight
259.69
Exact mass
259.0611
XLogP
1.14
TPSA
78.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.273
Molar refractivity
64.26

Supplementary Information

InChIKey: XFUSUQGFXMAJFV-UHFFFAOYSA-N
Синонимы
Methyl-3-aminomethyl-2-(methoxycarbonyl)benzoate hydrochloride444287-37-0SCHEMBL1962304XFUSUQGFXMAJFV-UHFFFAOYSA-NDTXSID101334326DB-0871483-aminomethyl-phthalic acid dimethyl ester hydrochloridemethyl-3-(aminomethyl)-2-(methoxycarbonyl)benzoate hydrochlorideDimethyl 3-(aminomethyl)benzene-1,2-dicarboxylate--hydrogen chloride (1/1)
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