CAS 220641-87-2 4-(Methylamino)tetrahydro-2H-pyran (HCID 6991950)

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Basic information

CAS: 220641-87-2
Standard SMILES: CNC1CCOCC1
InChIKey: WGYZZCUTSHNMET-UHFFFAOYSA-N
Molecular formula: C6H13NO
Average molar mass: 115.17 g/mol
Monoisotopic mass: 115.09971404

Names & identifiers

Preferred name: 4-(Methylamino)tetrahydro-2H-pyran
IUPAC: N-methyloxan-4-amine
English name: Methyl-(Tetrahydro-Pyran-4-Yl)-Amine Hcl
Molecular formula: C6H13NO
Molecular weight: 115.17

Names & synonyms

4-(methylamino)tetrahydro-2h-pyranRefChem:516343640-901-1220641-87-2N-methyltetrahydro-2H-pyran-4-amineN-methyloxan-4-amineMethyl-(tetrahydro-pyran-4-yl)-aminen-methyl-n-tetrahydro-2h-pyran-4-ylamineMFCD066584924-(METHYLAMINO)TETRAHYDROPYRANn-methyl-tetrahydro-2h-pyran-4-amine2H-PYRAN-4-AMINE, TETRAHYDRO-N-METHYL-

Show more names

CHEMBRDG-BB 4003545N-Methyloxan-4-amine, 98%2H-Pyran-4-amine,tetrahydro-N-methyl-N-Methyltetrahydro-2H-pyran-4-ylamine

N-Methyl-N-tetrahydro-2H-pyran-4ylamineSY013416EN300-43332TETRAHYDRO-N-METHYL-2H-PYRAN-4-AMINEN-methyltetrahydropyran-4-amineBB 0255126FT-0648490SCHEMBL21532

Database identifiers

CAS: 220641-87-2
PubChem CID: 6991950
DTXSID: DTXSID70426293
ChEMBL: CHEMBL4521491
EC Number: 640-901-1
Nikkaji: J3.086.993A

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 59.5

Physicochemical properties

Boiling point: 165 · 165.0±33.0 °C(Predicted)
Density: 0.93 · 0.93±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 10.01 · 10.01±0.20(Predicted)
form: liquid
color: Clear, colourless
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · UN2735
Hazard Note: Harmful

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (16.7%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (16.7%)

Safety data

ridadr: UN2735
hs_code: 2932990090
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Harmful
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
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: P261-P305+P351+P338