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3-[benzyl(2-hydroxyethyl)amino]-2-chloropropanenitrile

3-[benzyl(2-hydroxyethyl)amino]-2-chloropropanenitrile

Formula: C12H15ClN2O

SMILES: OCCN(CC(Cl)C#N)CC1=CC=CC=C1

IUPAC: 3-[benzyl(2-hydroxyethyl)amino]-2-chloropropanenitrile

InChI: InChI=1/C12H15ClN2O/c13-12(8-14)10-15(6-7-16)9-11-4-2-1-3-5-11/h1-5,12,16H,6-7,9-10H2

Composition: C (60.38%), H (6.33%), Cl (14.85%), N (11.74%), O (6.70%)

Molar Mass: 238.72

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 238.0872908
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey AXGIRXWYKJVCNK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.05
Topological Polar Surface Area 47.26
Polarizability 25.19
Ring Count 1
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C12H15ClN2O Quote Only