(Azepan-2-yl)methanol
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Basic information
- CAS
19168-71-9- Standard SMILES
OCC1CCCCCN1- InChIKey
SAHMJQZPPPFESV-UHFFFAOYSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- (Azepan-2-yl)methanol
- IUPAC
- azepan-2-ylmethanol
- English name
- 2-azepanylmethanol(SALTDATA: FREE)
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
19168-71-9(Azepan-2-yl)methanolRefChem:405821852-187-02-azepanylmethanolazepan-2-ylmethanolMFCD00457605SDCCGMLS-0064726.P001Oprea1_3111442-hydroxymethylhexahydroazepineSCHEMBL5482522SCHEMBL5482526
Show more names
Hexahydro-1H-azepine-2-methanol1H-Azepine-2-methanol, hexahydro-2-azepanylmethanol(SALTDATA: FREE)
SCHEMBL11877100HMS1581H08UAA16871AKOS013410816AT33153BS-37433CS-0235058EN300-152417
Database identifiers
- CAS
19168-71-9- PubChem CID
- 2849412
- EC Number
- 852-187-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 75.3
Physicochemical properties
- Boiling point
- 118 · 118-120 °C(Press: 15 Torr)
- Density
- 0.9956 g/cm3 · 0.9956 g/cm3
- pka
- 15.08 · 15.08±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H335-H315-H318
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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