CAS: 444287-96-1
이름: dimethyl 3-(pentylamino)benzene-1,2-dicarboxylate
SMILES:
CCCCCNC1=CC=CC(=C1C(=O)OC)C(=O)OCMolecular Processing
Molecular formula
C15H21NO4
Molecular weight
279.34
Exact mass
279.1471
XLogP
2.86
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
77.14
Supplementary Information
InChIKey: AAXYWHUXZJBDEP-UHFFFAOYSA-N
동의어
444287-96-13-Pentylamino-phthalic acid dimethyl esterSCHEMBL2382707AAXYWHUXZJBDEP-UHFFFAOYSA-NDTXSID401334325DB-091403dimethyl 3-(pentylamino)benzene-1,2-dicarboxylate
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