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1244949-76-5 | 4-Piperidinecarboxylic acid, 4-amino-1-[(4-chlorophenyl)methyl]-, methyl ester, hydrochloride (1:1)
CAS No: 1244949-76-5 Catalog No: AG000M35 MDL No:
Product Description
Catalog Number:
AG000M35
Chemical Name:
4-Piperidinecarboxylic acid, 4-amino-1-[(4-chlorophenyl)methyl]-, methyl ester, hydrochloride (1:1)
CAS Number:
1244949-76-5
Molecular Formula:
C14H20Cl2N2O2
Molecular Weight:
319.2268
IUPAC Name:
methyl 4-amino-1-[(4-chlorophenyl)methyl]piperidine-4-carboxylate;hydrochloride
InChI:
InChI=1S/C14H19ClN2O2.ClH/c1-19-13(18)14(16)6-8-17(9-7-14)10-11-2-4-12(15)5-3-11;/h2-5H,6-10,16H2,1H3;1H
InChI Key:
WKRTXMMVUYXWOY-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCN(CC1)Cc1ccc(cc1)Cl.Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.226g/mol
Monoisotopic Mass:
318.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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