2-Chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine - CAS 133860-75-0
Catalog: |
BB070682 |
Product Name: |
2-Chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine |
CAS: |
133860-75-0 |
Synonyms: |
2-chloro-N-isobutyl-3-nitroquinolin-4-amine; 2-chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine; 4-Quinolinamine, 2-chloro-N-(2-methylpropyl)-3-nitro-; 2-Chloro-N-(2-methylpropyl)-3-nitro-4-quinolinamine |
IUPAC Name: | 2-chloro-N-(2-methylpropyl)-3-nitroquinolin-4-amine |
Molecular Weight: | 279.72 |
Molecular Formula: | C13H14ClN3O2 |
Canonical SMILES: | CC(C)CNC1=C(C(=NC2=CC=CC=C21)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C13H14ClN3O2/c1-8(2)7-15-11-9-5-3-4-6-10(9)16-13(14)12(11)17(18)19/h3-6,8H,7H2,1-2H3,(H,15,16) |
InChI Key: | DVWFDUDOJMSGAP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 322 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 279.0774544 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 279.0774544 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 70.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.8 |
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