3,5-Dimethylbenzylamine
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Basic information
- CAS
78710-55-1- Standard SMILES
Cc1cc(C)cc(CN)c1- InChIKey
DZBHNPJZCQWUCG-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- 3,5-Dimethylbenzylamine
- IUPAC
- (3,5-dimethylphenyl)methanamine
- English name
- 3,5-Dimethylbenzylamine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
3,5-DimethylbenzylamineEINECS 278-974-3RefChem:487023278-974-378710-55-1(3,5-dimethylphenyl)methanamine1-(3,5-dimethylphenyl)methanamineMFCD00040753(3,5-dimethyl)benzylamineSCHEMBL43251DTXSID009999653,5-Dimethylbenzylamine, AldrichCPR
Show more names
RARECHEM AL BW 06343,5-Dimethylbenzylam5-(Aminomethyl)-m-xylene3,5-Dimethylbenzylamine97%3,5-Dimethylbenzylamine 97%3,5-DimethylbenzenemethanamineBenzenemethanamine, 3,5-dimethyl-(3,5-Dimethylphenyl)methanamine - [D89277]
AKOS000163738AS-44226CS-0280412EN300-2983603,5-dimethylbenzylamin3,5-Dimethylbenzylamine.2-(45-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOLSCHEMBL43250
Database identifiers
- CAS
78710-55-1- PubChem CID
- 2736241
- DTXSID
DTXSID00999965- EC Number
- 278-974-3
- Nikkaji
- J319.797B
Properties
Computed structural propertiesFilling in
- 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
- 90
Physicochemical properties
- Boiling point
- 102 °C · 102 °C
- Density
- 0.94 · 0.94
- pka
- 9.2 · 9.20±0.10(Predicted)
- form
- liquid
- color
- Colourless to light yellow / oil
- CAS DataBase Reference
- 78710 · 78710-55-1(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02,GHS05
- Signal word
- Danger
- Hazard statements
- 226 · H226-H314-H412
- Precautionary statements
- 210 · P210-P273-P280-P305+P351+P338-P310
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38-41
- Safety Statements
- 26 · 26-36/37/39-39
- Hazard Note
- Irritant
- HazardClass
- AIR SENSITIVE, CORROSIVE
- HS Code
- 2921490090 · 2921490090
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
Danger
H227 (33.3%): Combustible liquid [Warning Flammable liquids]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H412 (66.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)；Acute Tox. 4 (66.7%)；Acute Tox. 4 (66.7%)；Skin Corr. 1B (100%)；Eye Dam. 1 (33.3%)；Acute Tox. 4 (66.7%)；Aquatic Chronic 3 (66.7%)
Safety data
- hs_code
- 2921490090
- risk_code
- 36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05
Chemistry & industry
Applications
Uses3,5-Dimethylbenzylamine is an intermediate in the preparation of substituted pyridine and pyrimidine derivatives use in treating viral infections.
Suppliers
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Related reactions
4 records
Compound notes
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