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536-47-0 molecular structure
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1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid

ChemBase ID: 87282
Molecular Formular: C8H14N2O4S
Molecular Mass: 234.27276
Monoisotopic Mass: 234.06742794
SMILES and InChIs

SMILES:
S(=O)(=O)(O)O.N(c1ccc(cc1)N)(C)C
Canonical SMILES:
OS(=O)(=O)O.CN(c1ccc(cc1)N)C
InChI:
InChI=1S/C8H12N2.H2O4S/c1-10(2)8-5-3-7(9)4-6-8;1-5(2,3)4/h3-6H,9H2,1-2H3;(H2,1,2,3,4)
InChIKey:
GLUKPDKNLKRLHX-UHFFFAOYSA-N

Cite this record

CBID:87282 http://www.chembase.cn/molecule-87282.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-N,1-N-dimethylbenzene-1,4-diamine; sulfuric acid
IUPAC Traditional name
dimethyl-p-phenylenediamine; sulfuric acid
Synonyms
N.N-Dimethylbenzene-1,4-diamine sulphate
4-Amino-N,N-dimethylaniline sulphate
N1,N1-Dimethylbenzene-1,4-diamine sulfate
4-Amino-N,N-dimethylaniline sulfate
4-Dimethylaminoaniline sulfate
N,N-Dimethyl-p-phenylenediamine sulfate
DMPPDA
N,N-Dimethyl-p-phenylenediamine sulfate salt
4-(Dimethylamino)aniline sulfate salt
4-Amino-N,N-dimethylaniline sulfate salt
N,N-二甲基对苯二胺硫酸盐
4-氨基-N,N-二甲基苯胺 硫酸盐
对二甲氨基苯胺 硫酸盐
N,N-二甲基对苯二胺 硫酸盐
CAS Number
536-47-0
6219-73-4
EC Number
208-636-2
MDL Number
MFCD00012992
Beilstein Number
4612278
PubChem SID
24846116
24893899
162074393
24851217
PubChem CID
80351

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.047667995  LogD (pH = 7.4) 1.1568817 
Log P 1.2523637  Molar Refractivity 45.187 cm3
Polarizability 16.303928 Å3 Polar Surface Area 29.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
200-205 °C (dec.)(lit.) expand Show data source
200-205°C expand Show data source
200-205°C dec. expand Show data source
Boiling Point
495 °C(lit.) expand Show data source
495°C expand Show data source
Storage Warning
Hygroscopic/Light Sensitive/Toxic expand Show data source
Light Sensitive & Hygroscopic expand Show data source
RTECS
ST1575000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
23/24/25-36/37/38 expand Show data source
Safety Statements
26-28-36/37-45 expand Show data source
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H310-H331-H315-H319-H335 expand Show data source
H301-H311-H315-H319-H331-H335 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
P280H-P305+P351+P338-P302+P352-P309-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (T) expand Show data source
95+% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
(CH3)2NC6H4NH2·H2SO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 186384 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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