Basic information
- CAS
91552-82-8- Standard SMILES
CC(C)(C)c1ccc(CCN)cc1- InChIKey
WKCZSFRAGKIIKN-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 2-(4-Tert-butylphenyl)ethan-1-amine
- IUPAC
- 2-(4-tert-butylphenyl)ethanamine
- English name
- 2-(4-tert-Butylphenyl)ethylamine
- Molecular formula
- C12H19N
- Molecular weight
- 177.29
Names & synonyms
2-(4-tert-butylphenyl)ethan-1-amineRefChem:458376671-024-291552-82-82-(4-tert-Butylphenyl)ethylamine2-(4-(tert-Butyl)phenyl)ethanamine2-(4-tert-butylphenyl)ethanamine2-(4-tert-butylphenyl)ethyalmineMFCD00082596Butylphenylethylamine; 97%CHEMBL4748824-(tert-butyl)phenethylamine
Show more names
RARECHEM AL BW 0742Butylphenylethylamine2-(4-tert-Butylphenyl)ethylamin2-(4-tert-Butylphenyl)ethylamine 97%4-(1,1-Dimethylethyl)-benzeneethanamine
Benzeneethanamine, 4-(1,1-dimethylethyl)-4-tert-butyl-phenethylamine2-(4-t-Buphenyl)ethylamineSCHEMBL716077SCHEMBL6314116DTXSID50370886WKCZSFRAGKIIKN-UHFFFAOYSA-N2-[4-(t-butyl)phenyl]ethylamine
Database identifiers
- CAS
91552-82-8- PubChem CID
- 2735689
- DTXSID
DTXSID50370886- ChEMBL
CHEMBL474882- EC Number
- 671-024-2
- Nikkaji
- J1.046.835C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 80 °C · 80 °C
- Density
- 0.92 · 0.920±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.04 · 10.04±0.10(Predicted)
- CAS DataBase Reference
- 91552 · 91552-82-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H332-H335-H315-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2735 · 2735
- Hazard Note
- Irritant
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 (50%): Combustible liquid [Warning Flammable liquids]
P210, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesFlam. Liq. 4 (50%)
Safety data
- ridadr
- 2735
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H312-H319-H332-H335-H315-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers28 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
格莱斯兰德（天津）医药科技有限公司022-83705301 13752403750
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
Related reactions
20 records
Compound notes
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