C1COC2=C(O1)C=CC(=C2)CCN
CAS: 10554-64-0
Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILES: C1COC2=C(O1)C=CC(=C2)CCN

Molecular Processing

Molecular formula
C10H13NO2
Molecular weight
179.22
Exact mass
179.0946
XLogP
0.96
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
50.19

Supplementary Information

InChIKey: MJSYUXKKXKFWNX-UHFFFAOYSA-N
Synonyme
10554-64-02-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-amine2-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-ethylamine2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)ethanamine1,4-Benzodioxin-6-ethanamine, 2,3-dihydro-MFCD046248322-(2H,3H-benzo[3,4-e]1,4-dioxan-6-yl)ethylamineOprea1_7146273,4-ethylenedioxyphenethylamineSCHEMBL1253622MJSYUXKKXKFWNX-UHFFFAOYSA-NHMS1718F026-(2-aminoethyl)-1,4-benzodioxanSBB027961AKOS000117805NCGC00323059-01BS-13790CS-0216125ST50211427EN300-34121C80003AB01318526-02Z56964368F2124-0427InChI=1/C10H13NO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6,11H
Quelle anzeigen →
An 193 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→