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6393-01-7 molecular structure
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2,5-dimethylbenzene-1,4-diamine

ChemBase ID: 88536
Molecular Formular: C8H12N2
Molecular Mass: 136.19428
Monoisotopic Mass: 136.10004839
SMILES and InChIs

SMILES:
Nc1cc(c(cc1C)N)C
Canonical SMILES:
Cc1cc(N)c(cc1N)C
InChI:
InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3
InChIKey:
BWAPJIHJXDYDPW-UHFFFAOYSA-N

Cite this record

CBID:88536 http://www.chembase.cn/molecule-88536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethylbenzene-1,4-diamine
IUPAC Traditional name
4-amino-2,5-dimethylaniline
Synonyms
2,5-Dimethyl-1,4-phenylenediamine
1,4-Diamino-2,5-dimethylbenzene
2,5-Dimethylphenylene-1,4-diamine
2,5-Diamino-p-xylene
2,5-Dimethylbenzene-1,4-diamine
2,5-二甲基-1,4-苯二胺
CAS Number
6393-01-7
EC Number
229-003-7
MDL Number
MFCD00052675
PubChem SID
24860080
162075477
PubChem CID
160824

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.35244983  LogD (pH = 7.4) 1.2948309 
Log P 1.3422366  Molar Refractivity 45.5412 cm3
Polarizability 16.145918 Å3 Polar Surface Area 52.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
149-150 °C(lit.) expand Show data source
149-150°C expand Show data source
Storage Warning
Harmful/Irritant/Air Sensitive/Light Sensitive/Keep Cold expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312-H315-H319-H332-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Linear Formula
(CH3)2C6H2(NH2)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 336068 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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