Text Search
Structure Search

2-{[(2-aminoethyl)(methyl)amino]methyl}benzonitrile

2-{[(2-aminoethyl)(methyl)amino]methyl}benzonitrile

CAS: 1249299-48-6

Formula: C11H15N3

SMILES: CN(CCN)CC1=CC=CC=C1C#N

IUPAC: 2-{[(2-aminoethyl)(methyl)amino]methyl}benzonitrile

InChI: InChI=1S/C11H15N3/c1-14(7-6-12)9-11-5-3-2-4-10(11)8-13/h2-5H,6-7,9,12H2,1H3

Composition: C (69.81%), H (7.99%), N (22.20%)

Molar Mass: 189.262

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.126597495
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NUXYUVWEIRZSCL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.27
Topological Polar Surface Area 53.05
Polarizability 22.6
Ring Count 1
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <10 Days 1249299-48-6 Quote Only
Request Quote
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1249299-48-6 $46.66-$302.64$46.66$69.36$117.27$302.64
Request Quote