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95-10-3 | Bicyclo[2.2.1]hept-5-en-2-ylmethanamine
CAS No: 95-10-3 Catalog No: AG003A70 MDL No:MFCD07369043
Product Description
Catalog Number:
AG003A70
Chemical Name:
Bicyclo[2.2.1]hept-5-en-2-ylmethanamine
CAS Number:
95-10-3
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
MDL Number:
MFCD07369043
IUPAC Name:
2-bicyclo[2.2.1]hept-5-enylmethanamine
InChI:
InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2
InChI Key:
XLBALIGLOMYEKN-UHFFFAOYSA-N
SMILES:
NCC1CC2CC1C=C2
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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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