Basic information
- CAS
4073-98-7- Standard SMILES
Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N- InChIKey
OMHOXRVODFQGCA-UHFFFAOYSA-N- Molecular formula
- C17H22N2
- Average molar mass
- 254.37 g/mol
- Monoisotopic mass
- 254.1782987
Names & identifiers
- Preferred name
- 4,4'-Methylenebis(2,6-xylidine)
- IUPAC
- 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline
- English name
- 4,4'-Methylenebis(2,6-dimethylaniline)
- Molecular formula
- C17H22N2
- Molecular weight
- 254.37
Names & synonyms
4073-98-74,4'-Methylenebis(2,6-dimethylaniline)4,4'-Methylenebis(2,6-xylidine)KZX9T33K7FEINECS 223-786-9DTXSID90193713Benzenamine, 4,4'-methylenebis(2,6-dimethyl-Benzenamine, 4,4'-methylenebis[2,6-dimethyl-EC 223-786-9bis(4-amino-3,5-dimethylphenyl)methane3,3',5,5'-tetramethyl-4,4'-diaminodiphenylmethane4,4'-METHYLENEBIS(2,6-DIMETHYLBENZENAMINE)
Show more names
4,4'-MethylenebisAURORA KA-6230enebis(2,6-dimethyLLABOTEST-BB LT001600724,4'-METHYLENEDI-2,6-XYLIDINE4-(4-Amino-3,5-dimethylbenzyl)
RefChem:506795DTXCID30116204223-786-94-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline4,4-methylenebis(2,6-dimethylaniline)4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilineMFCD00058680MBDA-Form-I
Database identifiers
- CAS
4073-98-7- PubChem CID
- 77690
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 121 · 121-123 °C(lit.)
- Boiling point
- 424.9 · 424.9±40.0 °C(Predicted)
- Density
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 20℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 5.05 · 5.05±0.25(Predicted)
- Water Solubility
- 27.02 mg/L · 27.02mg/L at 20℃
- InChI
- 1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
- InChIKey
- OMHOXRVODFQGCA-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N
- LogP
- 2.6 at · 2.6 at 25℃
- CAS DataBase Reference
- 4073 · 4073-98-7(CAS DataBase Reference)
- FDA UNII
- 9 T33K7F · KZX9T33K7F
- Proposition 65 List
- 4 · 4,4'-Methylene bis(2-chloroaniline)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25517
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29029090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
4 records
Compound notes
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