4'-Tetrahydropyranylglycine

HCID 3385545

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Basic information

CAS: 53284-84-7
Standard SMILES: NC(C(=O)O)C1CCOCC1
InChIKey: XLZJPHKIECMDPG-UHFFFAOYSA-N
Molecular formula: C7H13NO3
Average molar mass: 159.18 g/mol
Monoisotopic mass: 159.08954328

Names & identifiers

Preferred name: 4'-Tetrahydropyranylglycine
IUPAC: 2-amino-2-(oxan-4-yl)acetic acid
English name: Amino-(tetrahydro-pyran-4-yl)-acetic acid
Molecular formula: C7H13NO3
Molecular weight: 159.19

Names & synonyms

53284-84-74'-TetrahydropyranylglycineDTXSID90392002RefChem:283467DTXCID703428632-amino-2-(tetrahydro-2h-pyran-4-yl)acetic acid2-amino-2-(oxan-4-yl)acetic Acid2-(Tetrahydropyran-4-yl)glycine4-TETRAHYDROPYRANYLGLYCINEamino-(tetrahydro-pyran-4-yl)-acetic acid2-amino-2-tetrahydropyran-4-yl-acetic acidAMINO(OXAN-4-YL)ACETIC ACID

Show more names

()-4''-TETRAHYDROPYRANYLGLYCIN2-amino-2-(oxan-4-yl)aceticaciAMINO-(4-TETRAHYDROPYRANYL)ACETIC ACIDa-AMinotetrahydro-2H-pyran-4-acetic acid2H-Pyran-4-acetic acid,a-aminotetrahydro-

MFCD021835762-Amino-2-(4-tetrahydropyranyl)acetic Acid(R)-a-Aminotetrahydro-2H-pyran-4-acetic acid(S)-a-Aminotetrahydro-2H-pyran-4-acetic acidSCHEMBL1770232XLZJPHKIECMDPG-UHFFFAOYSA-NCS-D0012(+/-)-4'-Tetrahydropyranylglycine

Database identifiers

CAS: 53284-84-7
PubChem CID: 3385545
DTXSID: DTXSID90392002
EC Number: 674-838-6
Nikkaji: J2.687.903E

Properties

Computed structural properties

XLogP: -2.8
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Boiling point: 316.7 · 316.7±17.0 °C(Predicted)
Density: 1.211 · 1.211±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.25 · 2.25±0.10(Predicted)
form: Solid
color: White to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xn
Risk Statements: 22 · 22
HS Code: 2932990090 · 2932990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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)

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

hs_code: 2932990090
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313