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1158758-98-5 | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-ethyl-, 1,1-dimethylethyl ester
CAS No: 1158758-98-5 Catalog No: AG000H10 MDL No:MFCD12408569
Product Description
Catalog Number:
AG000H10
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminomethyl)-4-ethyl-, 1,1-dimethylethyl ester
CAS Number:
1158758-98-5
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD12408569
IUPAC Name:
tert-butyl 4-(aminomethyl)-4-ethylpiperidine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-5-13(10-14)6-8-15(9-7-13)11(16)17-12(2,3)4/h5-10,14H2,1-4H3
InChI Key:
LTCVVNLACZFQSW-UHFFFAOYSA-N
SMILES:
CCC1(CN)CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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