Basic information
- CAS
13806-04-7- Standard SMILES
CN(C)c1ccc(N)cc1.Cl- InChIKey
KTWNIUBGGFBRKH-UHFFFAOYSA-N- Molecular formula
- C8H13ClN2
- Average molar mass
- 172.65 g/mol
- Monoisotopic mass
- 172.0767261
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
- IUPAC
- 4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride
- English name
- N,N-Dimethyl-p-phenylenediamine monohydrochloride
- Molecular formula
- C8H13ClN2
- Molecular weight
- 172.66
Names & synonyms
2052-46-21,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)RefChem:1053152218-146-0N,N-Dimethyl-p-phenylenediamine monohydrochlorideN1,N1-Dimethylbenzene-1,4-diamine hydrochloride13806-04-71,4-Benzenediamine, N,N-dimethyl-, monohydrochloride4-Amino-N,N-dimethylaniline hydrochloride4-Dimethylamineaniline, HClN,N-Dimethyl-p-phenylenediamine hydrochloride4-Amino-N,N-dimethylaniline monohydrochloride
Show more names
N,N-DIMETHYL-P-PHENYLENEDIAMINE MONON1,N1-dimethylbenzene-1,4-diamine HClN,N-Dimethyl-1,4-Phenylene Diamine HCLP-AMINODIMETHYLANILINE MONOHYDROCHLORIDEN,N-DIMETHYL-P-PHENYLENEDIAMINE HCL (MONO)P-[DIMETHYLAMINO]ANILINE MONOHYDROCHLORIDE4-(dimethylamino)aniline monohydrochloridep-Amino-N.N-dimethylanilinehydrochloride
MFCD00012990N,N-Dimethylbenzene-1,4-diamine hydrochloridep-Amino-N,N-dimethylaniline monohydrochloride4-N,4-N-dimethylbenzene-1,4-diamine;hydrochloride1,4-Benzenediamine, N,N-dimethyl-, hydrochloride4-Dimethylamineaniline hydrochloriden,n-dimethyl-1,4-phenylenediamine monohydrochlorideNSC-47696
Database identifiers
- CAS
13806-04-7、2052-46-2、536-46-9- PubChem CID
- 7736
- DTXSID
DTXSID50883789- UNII
- LPL8QUW2RC
- EC Number
- 218-146-0、237-455-1
Properties
Computed structural properties
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93.4
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Physical DescriptionGrey crystalline solid; Hygroscopic; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 215 °C · 215 °C (dec.)(lit.)
- storage temp.
- -20 °C · -20°C
- solubility
- DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- Grey to Black
- BRN
- 4546912 · 4546912
- Stability
- Hygroscopic
- 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
- SMILES
- Cl[H].CN(C)c1ccc(N)cc1
- CAS DataBase Reference
- 2052 · 2052-46-2(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, N,N-dimethyl-, monohydrochloride (2052-46-2)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 25 · NA.25
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 300 · H300-H311+H331-H334
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P311
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-43
- Safety Statements
- 36 · 36/37-45
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 1750000 · ST1750000
- F
- 3 · 3-8-10
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
- HS Code
- 2921490090 · 2921490090
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 2 OralAcute · Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationResp. Sens. 1
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H300 (97.6%): Fatal if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P321, P330, P342+P316, P361+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards Summary
Causes tremor, convulsions, and somnolence oral lethal-dose studies of rodents; [RTECS] May cause irritation and respiratory sensitization; May induce methemoglobinemia; Highly toxic by ingestion and inhalation; Toxic by skin absorption; [Sigma-Aldrich MSDS] See N,N-Dimethyl-p-benzenediamine.
Hazard Classes and CategoriesAcute Tox. 2 (97.6%)
Toxicology
Adverse EffectsNeurotoxin - Other CNS neurotoxin
Safety data
- F
- 3-8-10
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ST1750000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 2921490090
- risk_code
- 23/24/25-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- hazard_code
- T
- safety_code
- 36/37-45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- II
- Hazard statements
- H300-H311+H331-H334
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationResp. Sens. 1
- Precautionary statements
- P261-P264-P280-P301+P310-P311
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1): ACTIVE
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:?): INACTIVE
Applications
Uses4-Dimethylamineaniline, HCl. Dyes and metabolites. 4-Dimethylamineaniline Hydrochloride can be used to treat tauopathies.
Upstream & downstream products
Downstream products
Suppliers70 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
天津市光复科技发展有限公司022-85689490 13132141716 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
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艾科试剂4008-755-333 18080918076 · [email protected]
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天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海研易宝医药科技有限公司13661744693 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
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北京迈瑞达科技有限公司010-82387566 · [email protected]
Aladdin Scientific[email protected]
Related reactions
2 records
Compound notes
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