Basic information
- CAS
1432491-99-0- Standard SMILES
CC(O)C(O)CN- InChIKey
BSLCSFCXSUCFQN-UHFFFAOYSA-N- Molecular formula
- C4H11NO2
- Average molar mass
- 105.14 g/mol
- Monoisotopic mass
- 105.07897859
Names & identifiers
- Preferred name
- 1-Aminobutane-2,3-diol
- IUPAC
- 1-aminobutane-2,3-diol
Names & synonyms
1-aminobutane-2,3-diol1432491-99-0RefChem:429405968-277-9aminobutane-2,3-diolSCHEMBL1132116SCHEMBL1509776EN300-344624
Database identifiers
- CAS
1432491-99-0- PubChem CID
- 14325614
- EC Number
- 968-277-9
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 49
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Related reactions
2 records
Compound notes
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