Basic information
- CAS
94-98-4- Standard SMILES
Cc1ccc(CN)c(C)c1- InChIKey
GBSUVYGVEQDZPG-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- 2,4-Dimethylbenzylamine
- IUPAC
- (2,4-dimethylphenyl)methanamine
- English name
- 2,4-Dimethylbenzylamine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
2,4-Dimethylbenzylamine(2,4-Dimethylphenyl)methanamineBenzenemethanamine, 2,4-dimethyl-2,4-dimethylbenzenemethanamineTQZ4VS5TJQDTXSID0059114RefChem:82531DTXCID1048912202-380-5GBSUVYGVEQDZPG-UHFFFAOYSA-N94-98-4MFCD00025575
Show more names
1-α-Amino-ψ-cumeneTIMTEC-BB SBB005795RARECHEM AL BW 03502,4-DimethylbenzylamOMEGA-AMINO-PSI-CUMENE2,4-Dimethylbenzylamine,98%2,4-Dimethylbenzylamine >2,4-dimethyl-benzenemethanamin
Benzylamine, 2,4-dimethyl-1-(2,4-dimethylphenyl)methanamineUNII-TQZ4VS5TJQEINECS 202-380-52,4-Dimethyl benzylamineSCHEMBL96044SCHEMBL776054SCHEMBL8363364
Database identifiers
- CAS
94-98-4- PubChem CID
- 66761
- DTXSID
DTXSID0059114- UNII
- TQZ4VS5TJQ
- EC Number
- 202-380-5
- Nikkaji
- J61.278B
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 116 °C · 116°C (estimate)
- Boiling point
- 218 · 218-219°C
- Density
- 0 · 0,96 g/cm3
- refractive index
- 1.536 · 1.536-1.539
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.39 · 9.39±0.10(Predicted)
- form
- Liquid
- color
- Clear light yellow
- CAS DataBase Reference
- 94 · 94-98-4(CAS DataBase Reference)
- FDA UNII
- 4 VS5TJQ · TQZ4VS5TJQ
- NIST Chemistry Reference
- 2 · Benzenemethanamine, 2,4-dimethyl-(94-98-4)
- EPA Substance Registry System
- 2 · Benzenemethanamine, 2,4-dimethyl- (94-98-4)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 29214900
- risk_code
- 34-41-37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C,Xi
- safety_code
- 45-36/37/39-25-39-26
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P261-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, 2,4-dimethyl-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers72 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
山东普创医药科技有限公司18953403321 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司
Related reactions
14 records
Compound notes
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