Basic information
- CAS
2401-47-0- Standard SMILES
CN(C)CCOc1ccc(Cl)cc1- InChIKey
KKPXBCIAUAJAHE-UHFFFAOYSA-N- Molecular formula
- C10H14ClNO
- Average molar mass
- 199.68 g/mol
- Monoisotopic mass
- 199.07639175
Names & identifiers
- Preferred name
- 2-(4-chlorophenoxy)-N,N-dimethylethanamine
- IUPAC
- 2-(4-chlorophenoxy)-N,N-dimethylethanamine
- English name
- 2-(4-chlorophenoxy)-N,N-dimethylethanamine
- Molecular formula
- C10H14ClNO
- Molecular weight
- 199.68
Names & synonyms
2-(4-chlorophenoxy)-N,N-dimethylethanamine2401-47-0DTXSID40414107RefChem:252126DTXCID60364958696-309-92-(4-Chlorophenoxy)-N,N-dimethylethan-1-amine[2-(4-Chlorophenoxy)ethyl]dimethylamineSCHEMBL5093632SCHEMBL6598625KKPXBCIAUAJAHE-UHFFFAOYSA-NAKOS002774345
Show more names
2-(4-Chlorophenoxy)-N,N-dimethylethylamineN,N-Dimethyl-2-(4-chlorophenoxy)ethanamineEthanamine, 2-(4-chlorophenoxy)-N,N-dimethyl-
DB-032372L10072
Database identifiers
- CAS
2401-47-0- PubChem CID
- 5261950
- DTXSID
DTXSID40414107- EC Number
- 696-309-9
- Nikkaji
- J618.347F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Boiling point
- 267 ℃ · 267℃
- Density
- 1.096 · 1.096
- Flash point
- 115 ℃ · 115℃
- storage temp.
- 2 · 2-8°C
- pka
- 8.59 · 8.59±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
上海相辉医药科技有限公司[email protected]
海蔚化学86-21-51086038 · [email protected]
重庆卡兰医药有限公司[email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
Related reactions
2 records
Compound notes
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