CC[N+](CC)(CC)CC1=CC=CC=C1
CAS: 16652-03-2
Nom: benzyl(triethyl)azanium
SMILES: CC[N+](CC)(CC)CC1=CC=CC=C1

Molecular Processing

Molecular formula
C13H22N+
Molecular weight
192.33
Exact mass
192.1747
XLogP
3.06
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
62.03

Supplementary Information

InChIKey: VBQDSLGFSUGBBE-UHFFFAOYSA-N
Synonymes
benzyltriethylammoniumTriethylbenzylammonium16652-03-2Ammonium, benzyltriethyl-QS1AQC1A39DTXSID40168118RefChem:917010DTXCID2090609benzyl(triethyl)azaniumN-Benzyl-N,N-DiethylethanaminiumBENZYLTRIETHYLAZANIUMBenzenemethanaminium, N,N,N-triethyl-UNII-QS1AQC1A39BENZYL-TRIETHYL-AZANIUMbenzyl triethylammonium2q9ySCHEMBL81238SCHEMBL4350586BENZYLTRIETHYLAMMONIUM IONCHEMBL1231492VBQDSLGFSUGBBE-UHFFFAOYSA-NBENZYLTRIETHYLAMMONIUM CATIONAKOS024455954NS00013405Q27287469InChI=1/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→