N-Methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine hydrochloride - CAS 1431967-95-1
Catalog: |
BB048890 |
Product Name: |
N-Methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine hydrochloride |
CAS: |
1431967-95-1 |
Synonyms: |
(4-aminophenyl)methyl[(1-methylpyrazol-4-yl)methyl]amine hydrochloride; N1-Methyl-N1-[(1-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine hydrochloride; N-Methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1,4-benzenediamine hydrochloride (1:1); 1,4-Benzenediamine, N1-methyl-N1-[(1-methyl-1H-pyrazol-4-yl)methyl]-, hydrochloride (1:1) |
Related CAS: | 1006682-81-0 (free base)
|
IUPAC Name: | 4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine;hydrochloride |
Description: | N-Methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine hydrochloride (CAS# 1431967-95-1 ) is a useful research chemical. |
Molecular Weight: | 252.74 |
Molecular Formula: | C12H17ClN4 |
Canonical SMILES: | CN1C=C(C=N1)CN(C)C2=CC=C(C=C2)N.Cl |
InChI: | InChI=1S/C12H16N4.ClH/c1-15(8-10-7-14-16(2)9-10)12-5-3-11(13)4-6-12;/h3-7,9H,8,13H2,1-2H3;1H |
InChI Key: | CIZQROJQMRGARU-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.137496527 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.137496527 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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Amines and Anilines
Pyrazoles
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