4-(aminomethyl)-N,N-dimethylaniline dihydrochloride

HCID 2734633

Notes Reactions

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Basic information

CAS: 34403-52-6
Standard SMILES: CN(C)c1ccc(CN)cc1.Cl.Cl
InChIKey: NRZQHDOWSPJUQW-UHFFFAOYSA-N
Molecular formula: C9H16Cl2N2
Average molar mass: 223.14 g/mol
Monoisotopic mass: 222.06905387

Names & identifiers

Preferred name: 4-(aminomethyl)-N,N-dimethylaniline dihydrochloride
IUPAC: 4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride
English name: 4-(Dimethylamino)benzylamine dihydrochloride
Molecular formula: C9H16Cl2N2
Molecular weight: 223.14

Names & synonyms

34403-52-64-(Dimethylamino)benzylamine dihydrochloride4-Dimethylaminobenzylamine Dihydrochloride4-(aminomethyl)-N,N-dimethylaniline dihydrochlorideDTXSID703704092ME72B9SCZRefChem:515049DTXCID00321444626-002-7MFCD000128624-(AMINOMETHYL)-N,N-DIMETHYLANILINE 2HCL4-(aminomethyl)-N,N-dimethylaniline;dihydrochloride

Show more names

TIMTEC-BB SBB0033334-Dimethylaminobenzenemethanamine 2HClP-DIMETHYLAMINOBENZYLAMINE DIHYDROCHLORIDE4-Dimethylaminobenzylamine Dihydrochloride >4-DIMETHYLAMINOBENZYLAMINE DIHYDROCHLORIDE 98+%4-(Dimethylamino)benzylamine dihydrochloride 99%4-(Dimethylamino)benzylamine dihydrochloride HCl4-(DiMethylaMino)benzeneMethanaMine HydrochlorideN4,N4-DiMethyl-toluene-α,4-diaMine Dihydrochloride

D16204-(aminomethyl)-N,N-dimethylanilinedihydrochloride[4-(aminomethyl)phenyl]dimethylamine, chloride, chloride4-(Dimethylamino)benzenemethanamine Hydrochloride; N4,N4-Dimethyl-toluene-alpha,4-diamine Dihydrochloride; 4-(Aminomethyl)-N,N-dimethylaniline Dihydrochloride;SCHEMBL1143427(4-aminomethylphenyl)-dimethylamineSBB003333AKOS015920438

Database identifiers

CAS: 34403-52-6
PubChem CID: 2734633
DTXSID: DTXSID70370409
UNII: 2ME72B9SCZ
EC Number: 626-002-7

Properties

Computed structural properties

Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 104

Physicochemical properties

Melting point: 220 · 220-224 °C (dec.)(lit.)
storage temp.: Inert atmosphere,Room Temperature
solubility: 2 O: · H2O: soluble50mg/mL, clear, faintly yellow to yellow
form: Solid
color: White to Light Yellow
Water Solubility: almost transparency
InChI: 1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H
InChIKey: NRZQHDOWSPJUQW-UHFFFAOYSA-N
SMILES: Cl.Cl.CN(C)c1ccc(CN)cc1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
HS Code: 2921.59 · 2921.59.8090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 2921.59.8090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Dimethylaminobenzylamine is used in the preparation of N-benzyl and N-aryl furylpurines as inhibitors of mycobacteria for potential use as antituberculosis agents.

Uses4-(Dimethylamino)benzylamine dihydrochloride is used in the preparation of N-benzyl and N-aryl furylpurines as inhibitors of mycobacteria for potential use as antituberculosis agents.

Upstream & downstream products

Upstream raw materials

Suppliers60 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

31 records

New reaction record

HRID 23232As reactantuspto-grants-2005_02

HRID 327102As reactantuspto-grants-1993_12

HRID 374151As reactantuspto-grants-1992_11

HRID 404197As reactantuspto-grants-2014_06

HRID 404200As reactantuspto-grants-2014_06

HRID 404201As reactantuspto-grants-2014_06

HRID 404207As reactantuspto-grants-2014_06

HRID 413744As reactantuspto-grants-2003_05

Compound notes

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