Basic information
- CAS
586-70-9- Standard SMILES
Cc1ccc(C(C)N)cc1- InChIKey
UZDDXUMOXKDXNE-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- 1-(4-Methylphenyl)ethylamine
- IUPAC
- 1-(4-methylphenyl)ethanamine
- English name
- 1-(4-Methylphenyl)ethylamine 96
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
1-(4-Methylphenyl)ethylamine586-70-9RefChem:425919443-160-0624-212-31-(4-Methylphenyl)ethanamine1-(p-Tolyl)ethylamineMFCD021771111-(4-methylphenyl)ethan-1-amine4-(1-Aminoethyl)toluene1-p-Tolyl-ethylamine42070-98-4
Show more names
1-p-Tolylethanamine1-(4-Methylphenyl)ethylamine 961-(p-Tolyl)ethylamine - [T93856]P-METHYL-ALPHA-PHENYL ETHYLAMINEBenzenemethanamine, α,4-dimethyl-JR-8734, 1-(4-Methylphenyl)ethylamine, 97%
1-(p-tolyl)ethanamineSB75387Benzenemethanamine, .alpha.,4-dimethyl-1-(4-Methylphenyl)ethanamine #(1R)-1-(4-methylphenyl)ethylamine(1S)-1-(4-methylphenyl)ethylamine(R)-(+)-4-(1-Aminoethyl)toluene1-(p-tolyl)ethan-1-amine
Database identifiers
- CAS
586-70-9- PubChem CID
- 577386
- DTXSID
DTXSID501028260- EC Number
- 443-160-0、624-212-3、937-697-4
- Nikkaji
- J450.681B
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
- 92.9
Experimental & physicochemical properties
PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Physicochemical properties
- Boiling point
- 211 · 211-212 °C (lit.)
- Density
- 0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5210(lit.)
- Flash point
- 178 °F · 178 °F
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.2 · 9.20±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C9H13N/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8H,10H2,1-2H3
- InChIKey
- UZDDXUMOXKDXNE-UHFFFAOYSA-N
- SMILES
- C1(C=CC(C)=CC=1)C(N)C
- UNSPSC Code
- 12352100 · 12352100
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
H302 (73.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 142 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Regulatory Information
REACH registered substance: 1-(4-methylphenyl)ethylamine (EC: 443-160-0)
REACH registered substance: 1-(p-tolyl)ethanamine (EC: 937-697-4)
Hazard Classes and Categories
Acute Tox. 4 (93.2%)
Acute Tox. 4 (73.2%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- ridadr
- NA 1993 / PGIII
- hs_code
- 2921.49.5000
- risk_code
- 37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
Chemistry & industry
Uses & manufacturing
Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
Applications
Uses1-(4-Methylphenyl)ethylamine (1-p-tolylethanamine) may be used in the preparation of 1,1′-(2-thienylmethylene) di-2-naphthol ethyl acetate solvate and (R)-N-(1-p-tolylethyl)-2-methoxyacetamide.
General Description1-(4-Methylphenyl)ethylamine (1-p-tolylethanamine) is a chiral amine.
Suppliers69 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
韶远科技（上海）有限公司
Related reactions
8 records
Compound notes
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