Basic information
- CAS
26628-67-1- Standard SMILES
CNc1ccc(Cc2ccc(N)cc2)cc1- InChIKey
DEAOXXGXJLMFAS-UHFFFAOYSA-N- Molecular formula
- C14H16N2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.13134852
Overview
structure given in first source
Names & identifiers
- Preferred name
- 4-(4-Methylaminobenzyl)phenylamine
- IUPAC
- 4-[[4-(methylamino)phenyl]methyl]aniline
- English name
- N-Methyl-4,4'-methylenedianiline
- Molecular formula
- C14H16N2
- Molecular weight
- 212.29
Names & synonyms
26628-67-1N-Methyl-4,4'-methylenedianilineBenzenamine, 4-((4-aminophenyl)methyl)-N-methyl-DTXSID50181171Benzenamine, 4-[(4-aminophenyl)methyl]-N-methyl-N-MMDARefChem:830448DTXCID601036624-(4-methylaminobenzyl)phenylamine4-(4-aminobenzyl)-N-methylaniline4-[[4-(methylamino)phenyl]methyl]anilineANILINE, N-METHYL-4,4'-METHYLENEDI-
Show more names
4-((4-aminophenyl)methyl)-n-methyl-benzenaminn-methyl-4,4’-methylenedi-anilinN-Methyl-4,4′-methylenedianiline
BRN 36074674-[(4-AMINOPHENYL)METHYL]-N-METHYLANILINE4-((4-Aminophenyl)methyl)-N-methylbenzenamine4-(4-aminSCHEMBL922759DEAOXXGXJLMFAS-UHFFFAOYSA-NMFCD00192304AKOS015894709
Database identifiers
- CAS
26628-67-1- PubChem CID
- 33559
- DTXSID
DTXSID50181171- EC Number
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 61 · 61-63 °C(lit.)
- form
- solid
- InChI
- 1S/C14H16N2/c1-16-14-8-4-12(5-9-14)10-11-2-6-13(15)7-3-11/h2-9,16H,10,15H2,1H3
- InChIKey
- DEAOXXGXJLMFAS-UHFFFAOYSA-N
- SMILES
- CNc1ccc(Cc2ccc(N)cc2)cc1
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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
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
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 39 reports by companies from 2 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
- rtecs
- BY5700000
- 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-P305+P351+P338
Chemistry & industry
Applications
UsesN-Methyl-4,4′-methylenedianiline (4-(4-aminobenzyl)-N-methylaniline) is a 4,4′-methylenedianiline derivative. It has been synthesized by the methylation of 4,4′-methylenedianiline using formaldehyde and characterized by 1H NMR and mass spectrometry. It has been reported to be the one of the urinary metabolites during the in vivo metabolism of 4,4′-[14C]- methylenebis(N,N-dimethyl)benzamine (reduced Michler′s ketone, RMK) in Osborne-Mendel rats.
General DescriptionN-Methyl-4,4′-methylenedianiline (4-(4-aminobenzyl)-N-methylaniline) is a 4,4′-methylenedianiline derivative. It has been synthesized by the methylation of 4,4′-methylenedianiline using formaldehyde and characterized by 1H NMR and mass spectrometry. It has been reported to be the one of the urinary metabolites during the in vivo metabolism of 4,4′-[14C]- methylenebis(N,N-dimethyl)benzamine (reduced Michler′s ketone, RMK) in Osborne-Mendel rats.
Suppliers9 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
重庆卡兰医药有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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