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2052-46-2 molecular structure
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1-N,1-N-dimethylbenzene-1,4-diamine hydrochloride

ChemBase ID: 77214
Molecular Formular: C8H13ClN2
Molecular Mass: 172.65522
Monoisotopic Mass: 172.07672611
SMILES and InChIs

SMILES:
Nc1ccc(cc1)N(C)C.Cl
Canonical SMILES:
CN(c1ccc(cc1)N)C.Cl
InChI:
InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
InChIKey:
KTWNIUBGGFBRKH-UHFFFAOYSA-N

Cite this record

CBID:77214 http://www.chembase.cn/molecule-77214.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 hydrochloride
IUPAC Traditional name
dimethyl-p-phenylenediamine hydrochloride
Synonyms
N,N-Dimethyl-p-phenylenediamine hydrochloride
DMPPDA
N,N-Dimethyl-p-phenylenediamine monohydrochloride
4-(Dimethylamino)aniline monohydrochloride
4-Amino-N,N-dimethylaniline monohydrochloride
N,N-DIMETHYL-p-PHENYLENEDIAMINE HYDROCHLORIDE (MONO)
4-氨基-N,N-二甲基苯胺 单盐酸盐
对二甲氨基苯胺 单盐酸盐
N,N-二甲基对苯二胺 单盐酸盐
CAS Number
2052-46-2
EC Number
218-146-0
MDL Number
MFCD00012990
Beilstein Number
4546912
PubChem SID
162042087
24893912
24846115
PubChem CID
7736

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
215 °C (dec.)(lit.) expand Show data source
RTECS
ST1750000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
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
Risk Statements
23/24/25-43 expand Show data source
R:22 expand Show data source
Safety Statements
36/37-45 expand Show data source
S:36/37/39 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H311-H331-H334 expand Show data source
GHS Precautionary statements
P261-P264-P280-P301 + P310-P311 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
-20°C expand Show data source
Purity
≥98.0% (AT) expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
(CH3)2NC6H4NH2·HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202457 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - D5004 external link
Caution
Darkens readily to grey powder when exposed to air.
包装
10, 25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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