N-cyclopropyl-1,3-benzoxazol-2-amine
Basic information
- CAS
1125867-14-2- Standard SMILES
c1ccc2oc(NC3CC3)nc2c1- InChIKey
RBWTZZBBNZQPIN-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- N-cyclopropyl-1,3-benzoxazol-2-amine
- IUPAC
- N-cyclopropyl-1,3-benzoxazol-2-amine
- English name
- 2-(Cyclopropylamino)benzoxazole
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
1125867-14-2N-cyclopropyl-1,3-benzoxazol-2-amineRefChem:829661820-026-32-(Cyclopropylamino)benzoxazolen-cyclopropylbenzo[d]oxazol-2-amineSCHEMBL3952272AVB86714AKOS009106646CS-0242084EN300-244533F657866
Show more names
2-Benzoxazolamine, N-cyclopropyl-
Z281802538
Database identifiers
- CAS
1125867-14-2- PubChem CID
- 51111767
- EC Number
- 820-026-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 95 · 95-97 °C
- Boiling point
- 295 · 295.0±23.0 °C(Predicted)
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 3.11 · 3.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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