Basic information
- CAS
34240-76-1- Standard SMILES
CC(C)CCNCCO- InChIKey
VHQWELIDTIYJIJ-UHFFFAOYSA-N- Molecular formula
- C7H17NO
- Average molar mass
- 131.22 g/mol
- Monoisotopic mass
- 131.13101417
Names & identifiers
- Preferred name
- 2-((3-Methylbutyl)amino)ethan-1-ol
- IUPAC
- 2-(3-methylbutylamino)ethanol
- English name
- 2-(ISOAMYLAMINO)ETHANOL
- Molecular formula
- C7H17NO
- Molecular weight
- 131.22
Names & synonyms
2-[(3-methylbutyl)amino]ethan-1-ol2-((3-Methylbutyl)amino)ethan-1-olRefChem:448246895-766-334240-76-12-[(3-methylbutyl)amino]ethanol2-(3-methylbutylamino)ethanol2-(Isopentylamino)ethanol2-(ISOAMYLAMINO)ETHANOL2-(isopentylamino)-ethanolNSC128127N-(3-methylbutyl)ethanolamine
Show more names
Ethanol, 2-[(3-methylbutyl)amino]-
SCHEMBL438190N-(2-hydroxyethyl)isoamylamineSCHEMBL7961221SCHEMBL27625468DTXSID10299089VHQWELIDTIYJIJ-UHFFFAOYSA-NJBA24076MFCD00020569
Database identifiers
- CAS
34240-76-1- PubChem CID
- 278477
- DTXSID
DTXSID10299089- EC Number
- 895-766-3
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 54
Physicochemical properties
- Melting point
- -12.63 °C · -12.63°C (estimate)
- Boiling point
- 242.56 °C · 242.56°C (rough estimate)
- Density
- 0.8822 · 0.8822
- refractive index
- 1.4447 · 1.4447
- pka
- 14.81 · 14.81±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)；Acute Tox. 4 (100%)；Skin Corr. 1B (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
4 records
Compound notes
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