1-Amino-3-methylbutan-2-ol
Basic information
- CAS
17687-58-0- Standard SMILES
CC(C)C(O)CN- InChIKey
KYUPIHBUKDNZKE-UHFFFAOYSA-N- Molecular formula
- C5H13NO
- Average molar mass
- 103.16 g/mol
- Monoisotopic mass
- 103.09971404
Names & identifiers
- Preferred name
- 1-Amino-3-methylbutan-2-ol
- IUPAC
- 1-amino-3-methylbutan-2-ol
- English name
- 1-Amino-3-methyl-butan-2-ol
- Molecular formula
- C5H13NO
- Molecular weight
- 103.16
Names & synonyms
1-amino-3-methylbutan-2-ol17687-58-0DTXSID00625111RefChem:227527DTXCID00575864846-787-11-Amino-3-methyl-butan-2-ol2-Butanol, 1-amino-3-methyl-MFCD092605801-amino-3-methyl-2-butanol208850-56-0(+)-1-Amino-3-methylbutan-2-ol
Show more names
1-Amino-3-methyl-2-butanol HCl1-Amino-3-methyl-2-butanol hydrochloride
SCHEMBL113473SCHEMBL11877670KYUPIHBUKDNZKE-UHFFFAOYSA-NALBB-027973AKOS010571971BS-12739DA-09208EN300-67264
Database identifiers
- CAS
17687-58-0- PubChem CID
- 22348641
- DTXSID
DTXSID00625111- EC Number
- 846-787-1
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.3
Physicochemical properties
- Melting point
- 26 · 26-27 °C
- Boiling point
- 174 °C · 174 °C(Press: 764 Torr)
- Density
- 0.912 · 0.912±0.06 g/cm3(Predicted)
- pka
- 12.78 · 12.78±0.35(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
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 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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 CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
3 records
Compound notes
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