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2403-22-7 | N-Benzylbutan-1-amine
CAS No: 2403-22-7 Catalog No: AG003SS4 MDL No:MFCD00009427
Product Description
Catalog Number:
AG003SS4
Chemical Name:
N-Benzylbutan-1-amine
CAS Number:
2403-22-7
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
MDL Number:
MFCD00009427
IUPAC Name:
N-benzylbutan-1-amine
InChI:
InChI=1S/C11H17N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3
InChI Key:
HIPXPABRMMYVQD-UHFFFAOYSA-N
SMILES:
CCCCNCc1ccccc1
EC Number:
219-287-0
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
| [The relationship between structure and tuberculostatic effect in the benzylamine group]. | Die Pharmazie 19760601 |
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