CAS 20691-89-8 1-Methyl-4-piperidinemethanol (HCID 271971)

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Basic information

CAS: 20691-89-8
Standard SMILES: CN1CCC(CO)CC1
InChIKey: KJZLJGZZDNGGCA-UHFFFAOYSA-N
Molecular formula: C7H15NO
Average molar mass: 129.2 g/mol
Monoisotopic mass: 129.1153641

Names & identifiers

Preferred name: 1-Methyl-4-piperidinemethanol
IUPAC: (1-methylpiperidin-4-yl)methanol
English name: 1-Methyl-4-piperidinemethanol
Molecular formula: C7H15NO
Molecular weight: 129.2

Names & synonyms

1-Methyl-4-piperidinemethanol20691-89-84-Piperidinemethanol, 1-methyl-N-Methyl-4-hydroxymethylpiperidineDTXSID40297432RefChem:76330DTXCID80248569681-545-7KJZLJGZZDNGGCA-UHFFFAOYSA-N(1-methylpiperidin-4-yl)methanolN-Methyl-4-piperidinemethanol(1-Methyl-piperidin-4-yl)-methanol

Show more names

BUTTPARK 145\16-21CHEMBRDG-BB 40021911-Methyl-4-piperidinemeth...1-Methyl-4-piperidinemethanoN-Methyl-piperidin-4-Methanol4-Methoxy-1-Methyl-piperidineN-Methyl-4-piperidinecarbinol

MFCD034119031-Methylpiperidine-4-methanol(1-Methyl-4-piperidinyl)methanol(1-methyl-4-piperidyl)methanol4-Hydroxymethyl-1-methylpiperidineF2167-0014(1-methyl-4-piperidyl)methan-1-olNSC116001

Database identifiers

CAS: 20691-89-8
PubChem CID: 271971
DTXSID: DTXSID40297432
EC Number: 681-545-7
Nikkaji: J109.512I

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 77

Physicochemical properties

Boiling point: 108 °C/10mmHg · 108°C/10mmHg(lit.)
Density: 0.981 g/mL · 0.981 g/mL at 25 °C
refractive index: 1.476 · 1.476
Flash point: 110 ℃ · 110℃
storage temp.: Inert atmosphere,Room Temperature
pka: 14.94 · 14.94±0.10(Predicted)
form: Liquid
color: Colorless to yellow
InChI: InChI=1S/C7H15NO/c1-8-4-2-7(6-9)3-5-8/h7,9H,2-6H2,1H3
InChIKey: KJZLJGZZDNGGCA-UHFFFAOYSA-N
SMILES: N1(C)CCC(CO)CC1
CAS DataBase Reference: 20691 · 20691-89-8(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.

Warning

H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.