alpha-Methyl-1-piperidineethanol

HCID 233605

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Basic information

CAS: 934-90-7
Standard SMILES: CC(O)CN1CCCCC1
InChIKey: UCASFSAKVJTSET-UHFFFAOYSA-N
Molecular formula: C8H17NO
Average molar mass: 143.23 g/mol
Monoisotopic mass: 143.13101416

Names & identifiers

Preferred name: alpha-Methyl-1-piperidineethanol
IUPAC: 1-piperidin-1-ylpropan-2-ol
English name: alpha-Methyl-1-piperidineethanol
Molecular formula: C8H17NO
Molecular weight: 143.23

Names & synonyms

934-90-7alpha-Methyl-1-piperidineethanolRefChem:3184381-(piperidin-1-yl)propan-2-ol1-piperidin-1-ylpropan-2-olSCHEMBL8623271-piperidin-1-yl-propan-2-olMFCD00023764AKOS009158942AT248681-piperidylpropan-2-olCS-0526731

Show more names

LABOTEST-BB LT00000067α-Methyl-1-piperidineethanol1-Piperidineethanol, α-methyl-alpha-methylpiperidine-1-ethanol1-Piperidineethanol, alpha-methyl-

1-Piperidino-2-propanolNSC32391FT-06082741-(a-Piperidyl)-propan-A928253SCHEMBL6668951-(1-piperidyl)propan-2-ol1-(a-Piperidyl)-propan-2-ol

Database identifiers

CAS: 934-90-7
PubChem CID: 233605
DTXSID: DTXSID001309013
EC Number: 213-295-8、925-270-5
Nikkaji: J298.524A

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 89.3

Physicochemical properties

Boiling point: 261.35 °C · 261.35°C (rough estimate)
Density: 0.93 · 0.9300
refractive index: 1.4614 · 1.4614 (estimate)
pka: 15.07 · 15.07±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
RIDADR: 2811 · UN2811
HazardClass: 6.1 · 6.1
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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 39 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

ridadr: UN2811
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 6.1
Hazard statements: H315-H319
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362