COC(=O)C1=C(C(=CC=C1)N)N
CAS: 107582-20-7
Название: methyl 2,3-diaminobenzoate
SMILES: COC(=O)C1=C(C(=CC=C1)N)N

Molecular Processing

Molecular formula
C8H10N2O2
Molecular weight
166.18
Exact mass
166.0742
XLogP
0.64
TPSA
78.34
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
46.61

Supplementary Information

InChIKey: BLJHLOLVEXWHFS-UHFFFAOYSA-N
Синонимы
2,3-Diaminobenzoic acid methyl esterRefChem:441952800-617-2Methyl 2,3-diaminobenzoate107582-20-7MFCD04038589BENZOIC ACID, 2,3-DIAMINO-, METHYL ESTERMethyl 3-aminoanthranilatemethyl 2,3-diamino benzoatemethyl-2,3-diamino-benzoateSCHEMBL505249Discontinued. See D416211Methyl 2,3-diaminobenzoate #SCHEMBL31589985DTXSID203412652,3-Diaminobenzoicacid methyl esterMethyl 2 pound not3-diaminobenzoateSBB0537832,3-diamino-benzoic acid methyl esterAKOS0062379002,3-Diaminobenzoic acid, methyl esterCS-W005147FD11827Methyl 2,3-diaminobenzoate, AldrichCPRDS-13909SY007724DB-050643M2979EN300-66470D30130
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