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1219423-76-3 | 4-Benzylpiperazine-2-carboxylic acid hydrochloride
CAS No: 1219423-76-3 Catalog No: AG01F8YH MDL No:
Product Description
Catalog Number:
AG01F8YH
Chemical Name:
4-Benzylpiperazine-2-carboxylic acid hydrochloride
CAS Number:
1219423-76-3
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
IUPAC Name:
4-benzylpiperazine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C12H16N2O2.ClH/c15-12(16)11-9-14(7-6-13-11)8-10-4-2-1-3-5-10;/h1-5,11,13H,6-9H2,(H,15,16);1H
InChI Key:
APQYWFSMKGCAOY-UHFFFAOYSA-N
SMILES:
OC(=O)C1NCCN(C1)Cc1ccccc1.Cl
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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