CAS: 139670-57-8
이름: 2-[4-(dimethylamino)phenyl]ethyl 4-methylbenzenesulfonate
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC=C(C=C2)N(C)CMolecular Processing
Molecular formula
C17H21NO3S
Molecular weight
319.43
Exact mass
319.1242
XLogP
3.01
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
88.79
Supplementary Information
InChIKey: MQJQDMOLIDPDPD-UHFFFAOYSA-N
동의어
SCHEMBL67977304-Dimethylaminophenethyl tosylateMQJQDMOLIDPDPD-UHFFFAOYSA-N2-(4-dimethylaminophenyl)ethyl tosylate4-(Dimethylamino)phenethyl 4-methylbenzenesulfonate139670-57-8
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