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3-(pyrrolidin-1-ylmethyl)benzaldehyde

3-(pyrrolidin-1-ylmethyl)benzaldehyde

CAS: 884507-42-0

Formula: C12H15NO

SMILES: O=CC1=CC(CN2CCCC2)=CC=C1

IUPAC: 3-[(pyrrolidin-1-yl)methyl]benzaldehyde

InChI: InChI=1S/C12H15NO/c14-10-12-5-3-4-11(8-12)9-13-6-1-2-7-13/h3-5,8,10H,1-2,6-7,9H2

Composition: C (76.16%), H (7.99%), N (7.40%), O (8.45%)

Molar Mass: 189.258

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 189.115364107
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XHHOLQHPKIDQEM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.73
Topological Polar Surface Area 20.31
Polarizability 22.24
Ring Count 2
Rotatable Bond Count 3

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97% <2 Days 884507-42-0 $51.35-$297.16$51.35$63.37$86.31$297.16
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