4-Nitro-N-propylbenzylamine hydrochloride - CAS 68133-98-2
Catalog: |
BB033479 |
Product Name: |
4-Nitro-N-propylbenzylamine hydrochloride |
CAS: |
68133-98-2 |
Synonyms: |
N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride |
IUPAC Name: | N-[(4-nitrophenyl)methyl]propan-1-amine;hydrochloride |
Description: | 4-Nitro-N-propylbenzylamine hydrochloride (CAS# 68133-98-2) is a useful research chemical. |
Molecular Weight: | 230.69 |
Molecular Formula: | C10H15ClN2O2 |
Canonical SMILES: | CCCNCC1=CC=C(C=C1)[N+](=O)[O-].Cl |
InChI: | InChI=1S/C10H14N2O2.ClH/c1-2-7-11-8-9-3-5-10(6-4-9)12(13)14;/h3-6,11H,2,7-8H2,1H3;1H |
InChI Key: | LWISLZIFEARHJI-UHFFFAOYSA-N |
Boiling Point: | 307.1 °C at 760 mmHg |
MDL: | MFCD00012845 |
LogP: | 3.81050 |
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 |
Publication Number | Title | Priority Date |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2020086309-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
EP-1406879-A1 | Novel chelating agents and conjugates thereof, their synthesis and use as diagnostic and therapeutic agents | 20010717 |
JP-2005523235-A | Novel chelating agents and conjugates thereof, synthesis and use of the chelating agents and conjugates as diagnostic and therapeutic agents | 20010717 |
US-2004167330-A1 | Novel chelating agents and conjugates thereof, their synthesis and use as diagnois and therapeutic agents | 20010717 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0822054 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0822054 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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