200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 180847-37-4
180847-37-4 | Benzonitrile, 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-
CAS No: 180847-37-4 Catalog No: AG0022DQ MDL No:MFCD11133020
Product Description
Catalog Number:
AG0022DQ
Chemical Name:
Benzonitrile, 4-[[4-(hydroxymethyl)-1-piperidinyl]methyl]-
CAS Number:
180847-37-4
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
MDL Number:
MFCD11133020
IUPAC Name:
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
InChI:
InChI=1S/C14H18N2O/c15-9-12-1-3-13(4-2-12)10-16-7-5-14(11-17)6-8-16/h1-4,14,17H,5-8,10-11H2
InChI Key:
SDMNKWJZZNHXCA-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)Cc1ccc(cc1)C#N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.