Home Carboxys 1-[(1-Methyl-1h-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid hydrate

1-[(1-Methyl-1h-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid hydrate

CAS No.:
1269039-36-2
Catalog Number:
AG00J1SF
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J1SF
Chemical Name:
1-[(1-Methyl-1h-pyrrol-2-yl)methyl]-4-piperidinecarboxylic acid hydrate
CAS Number:
1269039-36-2
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD11053917
IUPAC Name:
1-[(1-methylpyrrol-2-yl)methyl]piperidine-4-carboxylic acid;hydrate
InChI:
InChI=1S/C12H18N2O2.H2O/c1-13-6-2-3-11(13)9-14-7-4-10(5-8-14)12(15)16;/h2-3,6,10H,4-5,7-9H2,1H3,(H,15,16);1H2
InChI Key:
LTVMRZFJMQTFHL-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)Cc1cccn1C.O
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties