Home > Compound List > Compound details
62778-12-5 molecular structure
click picture or here to close

bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid

ChemBase ID: 105931
Molecular Formular: C18H26N4O4
Molecular Mass: 362.42344
Monoisotopic Mass: 362.19540533
SMILES and InChIs

SMILES:
CN(C)c1ccc(N)cc1.CN(C)c1ccc(N)cc1.OC(=O)C(=O)O
Canonical SMILES:
CN(c1ccc(cc1)N)C.CN(c1ccc(cc1)N)C.OC(=O)C(=O)O
InChI:
InChI=1S/2C8H12N2.C2H2O4/c2*1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h2*3-6H,9H2,1-2H3;(H,3,4)(H,5,6)
InChIKey:
MNUINXKPLPIOEF-UHFFFAOYSA-N

Cite this record

CBID:105931 http://www.chembase.cn/molecule-105931.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(1-N,1-N-dimethylbenzene-1,4-diamine); oxalic acid
IUPAC Traditional name
bis(dimethyl-p-phenylenediamine); oxalic acid
Synonyms
N,N-Dimethyl-p-phenylenediamine hemioxalate salt
N,N-Dimethyl-1,4-phenylenediamine oxalate
DMPPDA
N,N-Dimethyl-p-phenylenediamine hemioxalate salt
N,N-Dimethyl-1,4-benzenediamine Ethanedioate
N,N-DIMETHYL-p-PHENYLENEDIAMINE OXALATE
N,N-二甲基-1,4-苯二胺草酸盐
N,N-二甲基对苯二胺 半草酸盐
4-氨基-N,N-二甲基苯胺 半草酸盐
对二甲氨基苯胺 半草酸盐
N,N-二甲基对苯二胺 半草酸盐
CAS Number
62778-12-5
EC Number
263-723-2
MDL Number
MFCD00036387
PubChem SID
162092696
24865671
PubChem CID
112942

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 112942 external link

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
205 °C (dec.)(lit.) expand Show data source
205°C expand Show data source
Storage Condition
Room Temperature (15-30°C), Store Under Nitrogen expand Show data source
RTECS
CZ1586550 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Highly toxic Highly toxic (T+) expand Show data source
UN Number
1673 expand Show data source
2811 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
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
20/21-28-36/37/38-43 expand Show data source
R:25-40 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
S:28-36/37/39-45-53 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
153 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H312-H315-H317-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P264-P280-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
[(CH3)2NC6H4NH2]2·H2C2O4 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02195149 external link
Darkens readily when exposed to air.
Sigma Aldrich - D4267 external link
Caution
暴露于空气中易于变暗。
Sigma Aldrich - 409758 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle