C1=COC(=C1)CNCCC#N
CAS: 6788-68-7
Name: 3-(furan-2-ylmethylamino)propanenitrile
SMILES: C1=COC(=C1)CNCCC#N

Molecular Processing

Molecular formula
C8H10N2O
Molecular weight
150.18
Exact mass
150.0793
XLogP
1.28
TPSA
48.96
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
40.64

Supplementary Information

InChIKey: HGGLROFYOVWSRZ-UHFFFAOYSA-N
Synonyme
3-((Furan-2-ylmethyl)amino)propanenitrile3-[(furan-2-ylmethyl)amino]propanenitrileRefChem:488857822-036-36788-68-73-[(2-Furylmethyl)amino]propanenitrile3-(furan-2-ylmethylamino)propanenitrile3-(furfurylamino)propionitrileMFCD002198403-{[(furan-2-yl)methyl]amino}propanenitrilePropanenitrile,3-[(2-furanylmethyl)amino]-3-[(Fur-2-ylmethyl)amino]propanenitrileSCHEMBL6745896CHEMBL4521632DTXSID00366234HGGLROFYOVWSRZ-UHFFFAOYSA-NHMS1782N18Fr16702GAA78868SBB055774AKOS001044514SB61128ST50950020EN300-16256Z53115918
Quelle anzeigen →
An 4 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→