Home Nitriles 2-(3-(hydroxymethyl)piperidin-1-yl)acetonitrile

2-(3-(hydroxymethyl)piperidin-1-yl)acetonitrile

CAS No.:
857636-98-7
Catalog Number:
AG01EMFT
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
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Product Description
Catalog Number:
AG01EMFT
Chemical Name:
2-(3-(hydroxymethyl)piperidin-1-yl)acetonitrile
CAS Number:
857636-98-7
Molecular Formula:
C8H14N2O
Molecular Weight:
154.2096
MDL Number:
MFCD12143987
IUPAC Name:
2-[3-(hydroxymethyl)piperidin-1-yl]acetonitrile
InChI:
InChI=1S/C8H14N2O/c9-3-5-10-4-1-2-8(6-10)7-11/h8,11H,1-2,4-7H2
InChI Key:
HGNOOPUXZAESBO-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)CC#N
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.111g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.213g/mol
Monoisotopic Mass:
154.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties