Home Carboxys 5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers

5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers

CAS No.:
661459-01-4
Catalog Number:
AG01ELJK
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
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Product Description
Catalog Number:
AG01ELJK
Chemical Name:
5-methylpiperidine-2-carboxylic acid hydrochloride, Mixture of diastereomers
CAS Number:
661459-01-4
Molecular Formula:
C7H14ClNO2
Molecular Weight:
179.6446
MDL Number:
MFCD31667937
IUPAC Name:
5-methylpiperidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C7H13NO2.ClH/c1-5-2-3-6(7(9)10)8-4-5;/h5-6,8H,2-4H2,1H3,(H,9,10);1H
InChI Key:
XIOIKXGNNACYRJ-UHFFFAOYSA-N
SMILES:
CC1CCC(NC1)C(=O)O.Cl
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.071g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.644g/mol
Monoisotopic Mass:
179.071g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties