Basic information
- CAS
1567880-73-2- Standard SMILES
N#Cc1cccc([C@@H](O)CN)c1- InChIKey
ZHNZFASIUKYYDA-VIFPVBQESA-N- Molecular formula
- C9H10N2O
- Average molar mass
- 162.19 g/mol
- Monoisotopic mass
- 162.07931295
Names & identifiers
- Preferred name
- 3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile
- IUPAC
- 3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile
- English name
- 3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile
- Molecular formula
- C9H10N2O
- Molecular weight
- 162.19
Names & synonyms
3-[(1R)-2-amino-1-hydroxyethyl]benzonitrile1567880-73-23-((1R)-2-amino-1-hydroxyethyl)benzonitrileRefChem:488145839-400-2AKOS021320793EN300-200349(R)-3-(2-amino-1-hydroxyethyl)benzonitrileBenzonitrile, 3-[(1R)-2-amino-1-hydroxyethyl]-
Database identifiers
- CAS
1567880-73-2- PubChem CID
- 83000866
- EC Number
- 839-400-2
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 362.2 · 362.2±32.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 11.58 · 11.58±0.35(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H332-H335-H312
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H315-H318-H332-H335-H312
- Precautionary statements
- P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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