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3158-73-4 | 2-Cyclopropylaniline
CAS No: 3158-73-4 Catalog No: AG0033A6 MDL No:MFCD00604193
Product Description
Catalog Number:
AG0033A6
Chemical Name:
2-Cyclopropylaniline
CAS Number:
3158-73-4
Molecular Formula:
C9H11N
Molecular Weight:
133.1903
MDL Number:
MFCD00604193
IUPAC Name:
2-cyclopropylaniline
InChI:
InChI=1S/C9H11N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,7H,5-6,10H2
InChI Key:
JSKOLQWFMXYJAF-UHFFFAOYSA-N
SMILES:
Nc1ccccc1C1CC1
EC Number:
221-600-0
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.089g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
133.194g/mol
Monoisotopic Mass:
133.089g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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