3-Nitrobenzylamine hydrochloride - CAS 26177-43-5
Catalog: |
BB019176 |
Product Name: |
3-Nitrobenzylamine hydrochloride |
CAS: |
26177-43-5 |
Synonyms: |
(3-nitrophenyl)methanamine;hydrochloride |
IUPAC Name: | (3-nitrophenyl)methanamine;hydrochloride |
Description: | 3-Nitrobenzylamine hydrochloride (CAS# 26177-43-5) is an intermediate in many organic syntheses. |
Molecular Weight: | 188.61 |
Molecular Formula: | C7H9ClN2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)[N+](=O)[O-])CN.Cl |
InChI: | InChI=1S/C7H8N2O2.ClH/c8-5-6-2-1-3-7(4-6)9(10)11;/h1-4H,5,8H2;1H |
InChI Key: | DLZXLCHQWOZGSE-UHFFFAOYSA-N |
Boiling Point: | 294 °C at 760 mmHg |
MDL: | MFCD00012858 |
LogP: | 3.07900 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0352552 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0352552 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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