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13725-02-5 | 3-Piperidinecarboxylic acid, 3-amino-1-(phenylmethyl)-
CAS No: 13725-02-5 Catalog No: AG001301 MDL No:MFCD04114483
Product Description
Catalog Number:
AG001301
Chemical Name:
3-Piperidinecarboxylic acid, 3-amino-1-(phenylmethyl)-
CAS Number:
13725-02-5
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
MDL Number:
MFCD04114483
IUPAC Name:
3-amino-1-benzylpiperidine-3-carboxylic acid
InChI:
InChI=1S/C13H18N2O2/c14-13(12(16)17)7-4-8-15(10-13)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2,(H,16,17)
InChI Key:
SIHICTGIUNQECV-UHFFFAOYSA-N
SMILES:
OC(=O)C1(N)CCCN(C1)Cc1ccccc1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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