Hexahydro-alpha-methyl-1H-azepine-1-ethanol
Basic information
- CAS
77883-50-2- Standard SMILES
CC(O)CN1CCCCCC1- InChIKey
RHULHUMGLDCWCP-UHFFFAOYSA-N- Molecular formula
- C9H19NO
- Average molar mass
- 157.25 g/mol
- Monoisotopic mass
- 157.14666423
Names & identifiers
- Preferred name
- Hexahydro-alpha-methyl-1H-azepine-1-ethanol
- IUPAC
- 1-(azepan-1-yl)propan-2-ol
- English name
- 1-(Hexamethyleneimino)-propanol
- Molecular formula
- C9H19NO
- Molecular weight
- 157.25
Names & synonyms
77883-50-2Hexahydro-alpha-methyl-1H-azepine-1-ethanolEINECS 278-781-4NSC 163331RefChem:146048278-781-41-(azepan-1-yl)propan-2-ol1-azaperhydroepinylpropan-2-olNSC163331SCHEMBL23163258DTXSID601279395SBB056515
Show more names
Hexahydro-α-methyl-1H-azepine-1-ethanol1H-Azepine-1-ethanol, hexahydro-α-methyl-
AKOS010107417NSC-1633311-(HEXAMETHYLENEIMINO)-2-PROPANOLHexahydro-I+/--methyl-1H-azepine-1-ethanolNS00058132ST50545481
Database identifiers
- CAS
77883-50-2- PubChem CID
- 99002
- DTXSID
DTXSID601279395- EC Number
- 278-781-4
- Nikkaji
- J319.694A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Boiling point
- 97 · 97-100 °C(Press: 11 Torr)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- pka
- 15.07 · 15.07±0.20(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H319
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H319
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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