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100158-78-9 | 3-Piperidinemethanamine, N,N-diethyl-
CAS No: 100158-78-9 Catalog No: AG000141 MDL No:MFCD05215129
Product Description
Catalog Number:
AG000141
Chemical Name:
3-Piperidinemethanamine, N,N-diethyl-
CAS Number:
100158-78-9
Molecular Formula:
C10H22N2
Molecular Weight:
170.2951
MDL Number:
MFCD05215129
IUPAC Name:
N-ethyl-N-(piperidin-3-ylmethyl)ethanamine
InChI:
InChI=1S/C10H22N2/c1-3-12(4-2)9-10-6-5-7-11-8-10/h10-11H,3-9H2,1-2H3
InChI Key:
DOQHFNCPMZRSIA-UHFFFAOYSA-N
SMILES:
CCN(CC1CCCNC1)CC
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.178g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.3g/mol
Monoisotopic Mass:
170.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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