Basic information
- CAS
7403-68-1- Standard SMILES
CC(C)(C)CNCCO- InChIKey
MTPDACKXWMOHEB-UHFFFAOYSA-N- Molecular formula
- C7H17NO
- Average molar mass
- 131.22 g/mol
- Monoisotopic mass
- 131.13101417
Names & identifiers
- Preferred name
- 2-[(2,2-Dimethylpropyl)amino]ethan-1-ol
- IUPAC
- 2-(2,2-dimethylpropylamino)ethanol
- English name
- Ethanol, 2-[(2,2-dimethylpropyl)amino]-
- Molecular formula
- C7H17NO
- Molecular weight
- 131.22
Names & synonyms
2-[(2,2-dimethylpropyl)amino]ethan-1-ol2-((2,2-dimethylpropyl)amino)ethan-1-olRefChem:447506899-980-82-(neopentylamino)ethanol7403-68-12-(2,2-dimethylpropylamino)ethanolNSC551142-((2,2-dimethylpropyl)amino)ethanolNSC-55114557769-81-0NCIStruc1_001910
Show more names
Ethanol, 2-[(2,2-dimethylpropyl)amino]-
NCIStruc2_0002452-(Neopentylamino)ethan-1-olSCHEMBL3427332SCHEMBL7960689CHEMBL1741333DTXSID10288256MTPDACKXWMOHEB-UHFFFAOYSA-NHAA40368
Database identifiers
- CAS
7403-68-1- PubChem CID
- 244282
- DTXSID
DTXSID10288256- ChEMBL
CHEMBL1741333- EC Number
- 899-980-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65.8
Physicochemical properties
- Boiling point
- 75 · 75-80 °C(Press: 10 Torr)
- Density
- 0.872 · 0.872±0.06 g/cm3(Predicted)
- pka
- 14.8 · 14.80±0.10(Predicted)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Suppliers4 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
2 records
Compound notes
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